 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer03_B3LYPDBJ_augccpVDZr.in
 Output=09_L-alanine_conformer03_B3LYPDBJ_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/09_L-alanine/Gau-24998.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24999.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                11-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=09_L-alanine_conformer03_B3LYPDBJ_augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Aug 11 18:28:15 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer03_B3LYPDBJ_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.234360000000      1.227627000000      0.493636000000
  C                                                -0.619746000000      0.176499000000     -0.427789000000
  C                                                 0.874662000000      0.040013000000     -0.091045000000
  O                                                 1.684560000000      0.876942000000     -0.381380000000
  N                                                -1.288697000000     -1.120012000000     -0.254191000000
  O                                                 1.182025000000     -1.074891000000      0.583386000000
  H                                                -0.668029000000      0.537376000000     -1.458500000000
  H                                                -2.272687000000      1.417776000000      0.215233000000
  H                                                -1.207375000000      0.889403000000      1.531687000000
  H                                                -0.678004000000      2.159964000000      0.419739000000
  H                                                -2.241749000000     -1.012991000000      0.067124000000
  H                                                -1.305328000000     -1.656641000000     -1.112376000000
  H                                                 0.338033000000     -1.576061000000      0.651570000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Wed Aug 11 18:28:15 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526972   0.000000
     3  C    2.490031   1.537947   0.000000
     4  O    3.067365   2.408859   1.200283   0.000000
     5  N    2.464469   1.469208   2.460162   3.583889   0.000000
     6  O    3.338946   2.415539   1.338783   2.234495   2.609222
     7  H    2.146628   1.093128   2.120660   2.609630   2.140683
     8  H    1.091690   2.164823   3.449325   4.038348   2.762058
     9  H    1.092096   2.166353   2.773013   3.467459   2.689558
    10  H    1.088230   2.157737   2.676913   2.805289   3.403729
    11  H    2.493414   2.071405   3.293304   4.380514   1.011437
    12  H    3.302016   2.073423   2.945184   3.986581   1.012289
    13  H    3.218389   2.270203   1.857725   2.982842   1.916934
                    6          7          8          9         10
     6  O    0.000000
     7  H    3.192398   0.000000
     8  H    4.275975   2.480204   0.000000
     9  H    3.235268   3.058764   1.774012   0.000000
    10  H    3.735074   2.482070   1.770785   1.769460   0.000000
    11  H    3.463031   2.684727   2.435472   2.614188   3.554895
    12  H    3.066100   2.310771   3.485738   3.671921   4.160215
    13  H    0.983943   3.151376   3.996162   3.039968   3.878654
                   11         12         13
    11  H    0.000000
    12  H    1.637800   0.000000
    13  H    2.704422   2.412184   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.61D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.9962844           3.2162425           2.3194998
 Leave Link  202 at Wed Aug 11 18:28:15 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.8298141574 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0165571857 Hartrees.
 Nuclear repulsion after empirical dispersion term =      250.8132569717 Hartrees.
 Leave Link  301 at Wed Aug 11 18:28:18 2021, MaxMem=  6442450944 cpu:              15.1 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.16D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Wed Aug 11 18:28:19 2021, MaxMem=  6442450944 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Aug 11 18:28:20 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer03_B3LYPDBJ_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Aug 11 18:28:22 2021, MaxMem=  6442450944 cpu:              10.6 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442356359 LenY=  6442310549
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.813038233304    
 DIIS: error= 1.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.813038233304     IErMin= 1 ErrMin= 1.78D-03
 ErrMax= 1.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-03 BMatP= 4.13D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.266 Goal=   None    Shift=    0.000
 GapD=    0.266 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.07D-03 MaxDP=2.41D-01              OVMax= 1.94D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.03D-03    CP:  1.03D+00
 E= -323.817134770636     Delta-E=       -0.004096537332 Rises=F Damp=F
 DIIS: error= 5.16D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.817134770636     IErMin= 2 ErrMin= 5.16D-04
 ErrMax= 5.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-04 BMatP= 4.13D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.16D-03
 Coeff-Com:  0.184D-01 0.982D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.183D-01 0.982D+00
 Gap=     0.242 Goal=   None    Shift=    0.000
 RMSDP=4.21D-04 MaxDP=1.74D-02 DE=-4.10D-03 OVMax= 5.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.21D-04    CP:  1.03D+00  1.03D+00
 E= -323.816978652269     Delta-E=        0.000156118367 Rises=F Damp=F
 DIIS: error= 8.44D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -323.817134770636     IErMin= 2 ErrMin= 5.16D-04
 ErrMax= 8.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.55D-04 BMatP= 1.31D-04
 IDIUse=3 WtCom= 2.56D-01 WtEn= 7.44D-01
 Coeff-Com: -0.153D-01 0.634D+00 0.381D+00
 Coeff-En:   0.000D+00 0.691D+00 0.309D+00
 Coeff:     -0.393D-02 0.676D+00 0.328D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=6.35D-03 DE= 1.56D-04 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.57D-05    CP:  1.03D+00  1.03D+00  7.93D-01
 E= -323.817233332426     Delta-E=       -0.000254680158 Rises=F Damp=F
 DIIS: error= 9.63D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.817233332426     IErMin= 4 ErrMin= 9.63D-05
 ErrMax= 9.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-06 BMatP= 1.31D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.812D-02 0.304D+00 0.129D+00 0.575D+00
 Coeff:     -0.812D-02 0.304D+00 0.129D+00 0.575D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=2.27D-05 MaxDP=1.38D-03 DE=-2.55D-04 OVMax= 7.20D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.90D-05    CP:  1.03D+00  1.03D+00  7.88D-01  1.12D+00
 E= -323.817236939676     Delta-E=       -0.000003607250 Rises=F Damp=F
 DIIS: error= 3.52D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.817236939676     IErMin= 5 ErrMin= 3.52D-05
 ErrMax= 3.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.89D-07 BMatP= 5.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-02 0.409D-01-0.703D-02 0.377D+00 0.591D+00
 Coeff:     -0.167D-02 0.409D-01-0.703D-02 0.377D+00 0.591D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=9.17D-06 MaxDP=4.42D-04 DE=-3.61D-06 OVMax= 3.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.87D-06    CP:  1.03D+00  1.03D+00  8.00D-01  1.15D+00  8.22D-01
 E= -323.817237613424     Delta-E=       -0.000000673748 Rises=F Damp=F
 DIIS: error= 1.13D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.817237613424     IErMin= 6 ErrMin= 1.13D-05
 ErrMax= 1.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-08 BMatP= 9.89D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.335D-03-0.207D-02-0.143D-01 0.169D+00 0.341D+00 0.507D+00
 Coeff:     -0.335D-03-0.207D-02-0.143D-01 0.169D+00 0.341D+00 0.507D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=2.87D-06 MaxDP=8.60D-05 DE=-6.74D-07 OVMax= 7.65D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.83D-06    CP:  1.03D+00  1.03D+00  8.03D-01  1.16D+00  8.05D-01
                    CP:  7.28D-01
 E= -323.817237690061     Delta-E=       -0.000000076637 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.817237690061     IErMin= 7 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-09 BMatP= 8.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-04-0.360D-02-0.426D-02 0.331D-01 0.750D-01 0.156D+00
 Coeff-Com:  0.744D+00
 Coeff:      0.131D-04-0.360D-02-0.426D-02 0.331D-01 0.750D-01 0.156D+00
 Coeff:      0.744D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=5.30D-07 MaxDP=1.50D-05 DE=-7.66D-08 OVMax= 1.24D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.69D-07    CP:  1.03D+00  1.03D+00  8.04D-01  1.16D+00  8.11D-01
                    CP:  7.56D-01  9.32D-01
 E= -323.817237690913     Delta-E=       -0.000000000853 Rises=F Damp=F
 DIIS: error= 5.33D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.817237690913     IErMin= 8 ErrMin= 5.33D-07
 ErrMax= 5.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-10 BMatP= 1.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-04-0.162D-02-0.137D-02 0.804D-02 0.187D-01 0.488D-01
 Coeff-Com:  0.376D+00 0.551D+00
 Coeff:      0.196D-04-0.162D-02-0.137D-02 0.804D-02 0.187D-01 0.488D-01
 Coeff:      0.376D+00 0.551D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=1.61D-07 MaxDP=6.64D-06 DE=-8.53D-10 OVMax= 3.72D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  1.03D+00  1.03D+00  8.04D-01  1.16D+00  8.12D-01
                    CP:  7.61D-01  9.45D-01  8.36D-01
 E= -323.817237691103     Delta-E=       -0.000000000189 Rises=F Damp=F
 DIIS: error= 1.41D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.817237691103     IErMin= 9 ErrMin= 1.41D-07
 ErrMax= 1.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-11 BMatP= 2.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.828D-05-0.247D-03-0.925D-04-0.406D-03-0.149D-02 0.853D-03
 Coeff-Com:  0.714D-01 0.243D+00 0.687D+00
 Coeff:      0.828D-05-0.247D-03-0.925D-04-0.406D-03-0.149D-02 0.853D-03
 Coeff:      0.714D-01 0.243D+00 0.687D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=4.59D-08 MaxDP=1.83D-06 DE=-1.89D-10 OVMax= 1.28D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.46D-08    CP:  1.03D+00  1.03D+00  8.04D-01  1.16D+00  8.11D-01
                    CP:  7.61D-01  9.54D-01  8.70D-01  8.97D-01
 E= -323.817237691115     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 4.46D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.817237691115     IErMin=10 ErrMin= 4.46D-08
 ErrMax= 4.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-12 BMatP= 1.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-05-0.407D-04 0.162D-04-0.524D-03-0.153D-02-0.175D-02
 Coeff-Com:  0.177D-01 0.910D-01 0.328D+00 0.567D+00
 Coeff:      0.246D-05-0.407D-04 0.162D-04-0.524D-03-0.153D-02-0.175D-02
 Coeff:      0.177D-01 0.910D-01 0.328D+00 0.567D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=3.81D-07 DE=-1.27D-11 OVMax= 2.08D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.76D-09    CP:  1.03D+00  1.03D+00  8.04D-01  1.16D+00  8.11D-01
                    CP:  7.61D-01  9.53D-01  8.78D-01  9.02D-01  9.16D-01
 E= -323.817237691114     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 6.37D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -323.817237691115     IErMin=11 ErrMin= 6.37D-09
 ErrMax= 6.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-14 BMatP= 1.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.598D-07 0.908D-05 0.129D-04-0.127D-03-0.314D-03-0.557D-03
 Coeff-Com: -0.156D-02 0.215D-02 0.313D-01 0.177D+00 0.792D+00
 Coeff:      0.598D-07 0.908D-05 0.129D-04-0.127D-03-0.314D-03-0.557D-03
 Coeff:     -0.156D-02 0.215D-02 0.313D-01 0.177D+00 0.792D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=3.68D-09 MaxDP=1.98D-07 DE= 1.36D-12 OVMax= 5.83D-08

 SCF Done:  E(RB3LYP) =  -323.817237691     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.0060
 KE= 3.218756601539D+02 PE=-1.259144666279D+03 EE= 3.626385114621D+02
 Leave Link  502 at Wed Aug 11 18:28:50 2021, MaxMem=  6442450944 cpu:             215.7 elap:              27.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.45564193D+02

 Leave Link  801 at Wed Aug 11 18:28:51 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4015 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 2.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 2.74D-01 8.37D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 3.27D-02 2.75D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 1.02D-03 7.26D-03.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 2.33D-05 9.87D-04.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 4.24D-07 9.22D-05.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 6.54D-09 1.23D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 6.42D-11 1.16D-06.
      6 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 2.88D-13 6.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension    94 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.622342D+02
      2  0.224954D+01  0.598362D+02
      3 -0.946710D-01 -0.253928D+01  0.487220D+02
 Isotropic polarizability for W=    0.093368       56.93 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.404972D+02  0.309639D+01 -0.375653D+01
      2   0.203559D+02  0.772385D+01  0.391677D+01
      3   0.201412D+02 -0.108202D+02 -0.160237D+00
      4   0.206847D+02 -0.284973D+02 -0.190566D+02
      5  -0.204917D+01 -0.188445D+02 -0.350805D+02
      6  -0.122133D+02  0.417561D+01  0.746833D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.335012D+01 -0.219809D+01 -0.682921D+01
      2   0.169536D+00 -0.648944D+01 -0.177596D+02
      3  -0.157126D+01  0.119860D+02  0.285570D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.212037D+00  0.258844D+00 -0.182886D+02
      2  -0.170735D+01 -0.684327D+01 -0.552218D+02
      3   0.175883D+02  0.488532D+02  0.663123D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.176386D+01  0.326074D+00  0.201258D+01
      2   0.326074D+00  0.139210D+01  0.647336D+00
      3   0.201258D+01  0.647336D+00  0.881513D-01
 OR G Eigenvalues:    -3.0545     0.6646     2.1064  Iso=     0.0945
 Eigenvectors:
   (1)   0.840376   0.017239  -0.541730
   (2)  -0.395415   0.703090  -0.591026
   (3)   0.370696   0.710892   0.597677
 w=    0.093368 a.u., Optical Rotation Beta=      0.0945 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =       59.81 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 7.00D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.62D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.93D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 1.72D-02 3.92D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 2.52D-04 2.64D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.79D-06 2.02D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 7.52D-09 1.40D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 1.15D-11 4.21D-07.
     13 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 1.07D-14 1.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   193 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.42D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.622342D+02  0.224954D+01 -0.946710D-01
      2   0.224954D+01  0.598362D+02 -0.253928D+01
      3  -0.946710D-01 -0.253928D+01  0.487220D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.335012D+01 -0.219809D+01 -0.682921D+01
      2   0.169536D+00 -0.648944D+01 -0.177596D+02
      3  -0.157126D+01  0.119860D+02  0.285570D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.404972D+02  0.309639D+01 -0.375653D+01
      2   0.203559D+02  0.772385D+01  0.391677D+01
      3   0.201412D+02 -0.108202D+02 -0.160237D+00
      4   0.206847D+02 -0.284973D+02 -0.190566D+02
      5  -0.204917D+01 -0.188445D+02 -0.350805D+02
      6  -0.122133D+02  0.417561D+01  0.746833D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.697093D+01 -0.245876D+01  0.152546D+01 -0.750129D+00 -0.341221D+01
      2  -0.245876D+01 -0.366267D+01 -0.101336D+01 -0.341221D+01 -0.283397D+01
      3   0.152546D+01 -0.101336D+01 -0.538541D+00 -0.119650D+01  0.100702D+01
                 6             7             8             9            10 
      1  -0.119650D+01  0.366834D+01 -0.149252D+01 -0.329305D+00 -0.428298D+01
      2   0.100702D+01 -0.149252D+01  0.181201D+01  0.219844D+01  0.681364D+00
      3   0.285642D+01 -0.329305D+00  0.219844D+01 -0.575292D+01 -0.926837D+00
                11            12            13            14            15 
      1   0.681364D+00 -0.926837D+00 -0.144541D+00  0.289927D+01  0.168501D+01
      2   0.291851D+01  0.757409D+00  0.289927D+01  0.113596D+01  0.130820D+00
      3   0.757409D+00  0.526846D+00  0.168501D+01  0.130820D+00 -0.303959D+01
                16            17            18            19            20 
      1  -0.301849D+01  0.893559D+00  0.220894D+00  0.122911D+01 -0.213182D+01
      2   0.893559D+00 -0.352726D+00 -0.391506D+01 -0.213182D+01 -0.249923D+01
      3   0.220894D+00 -0.391506D+01  0.592285D+01  0.186350D+01  0.107613D+01
                21            22            23            24            25 
      1   0.186350D+01 -0.491789D+01 -0.367697D+01  0.113741D+01  0.331830D+01
      2   0.107613D+01 -0.367697D+01 -0.151007D+01 -0.290392D+00  0.156744D+01
      3  -0.147521D+00  0.113741D+01 -0.290392D+00 -0.745112D-01 -0.325657D+00
                26            27            28            29            30 
      1   0.156744D+01 -0.325657D+00  0.876611D+01  0.405370D+01 -0.216020D+01
      2  -0.358227D+00  0.751729D+00  0.405370D+01  0.359675D+01 -0.964186D+00
      3   0.751729D+00 -0.762316D+00 -0.216020D+01 -0.964186D+00  0.181069D+01
                31            32            33            34            35 
      1   0.494823D+01  0.378912D+01 -0.699511D+00 -0.210725D+01 -0.542776D+00
      2   0.378912D+01  0.694529D+01 -0.107928D+01 -0.542776D+00 -0.795040D+00
      3  -0.699511D+00 -0.107928D+01  0.189803D+01  0.291926D+01  0.208487D+01
                36            37            38            39            40 
      1   0.291926D+01  0.634238D+01 -0.804214D-01 -0.780580D+00 -0.599889D+00
      2   0.208487D+01 -0.804214D-01 -0.985310D+00  0.586596D+00 -0.112739D+01
      3  -0.227659D+01 -0.780580D+00  0.586596D+00 -0.228168D+00  0.244507D+00
                41            42            43            44            45 
      1  -0.112739D+01  0.244507D+00 -0.115071D+01  0.844027D+00 -0.127602D+00
      2  -0.268280D+01  0.127002D+01  0.844027D+00  0.328313D+01  0.267831D+01
      3   0.127002D+01  0.245278D+01 -0.127602D+00  0.267831D+01  0.235567D+01
                46            47            48            49            50 
      1   0.661872D+01 -0.747482D+00  0.188157D+01  0.276965D+01  0.324324D+01
      2  -0.747482D+00  0.333111D+01 -0.107100D+01  0.324324D+01 -0.342798D+01
      3   0.188157D+01 -0.107100D+01  0.121546D+01 -0.170589D+00  0.794402D+00
                51            52            53            54            55 
      1  -0.170589D+00 -0.187162D-01 -0.121991D+01  0.107782D+01  0.536089D-01
      2   0.794402D+00 -0.121991D+01  0.908754D+00 -0.184100D+01  0.342333D+00
      3  -0.607445D+00  0.107782D+01 -0.184100D+01  0.262764D+01 -0.982343D+00
                56            57            58            59            60 
      1   0.342333D+00 -0.982343D+00  0.632899D+00 -0.510617D+00 -0.163903D+00
      2  -0.561145D+00 -0.136779D+00 -0.510617D+00  0.187962D+01 -0.164227D+01
      3  -0.136779D+00 -0.437913D+00 -0.163903D+00 -0.164227D+01  0.234771D+01
                61            62            63            64            65 
      1  -0.114961D+01 -0.200408D+00 -0.230054D+00 -0.969226D+01  0.278981D+01
      2  -0.200408D+00 -0.239434D+01  0.241770D+01  0.278981D+01 -0.200080D+01
      3  -0.230054D+00  0.241770D+01 -0.843271D+01 -0.621233D+00  0.178737D-01
                66            67            68            69            70 
      1  -0.621233D+00  0.120472D+01 -0.128943D+01  0.264762D+00 -0.228894D+01
      2   0.178737D-01 -0.128943D+01  0.155793D+01 -0.289551D+00  0.619948D+00
      3  -0.134246D+01  0.264762D+00 -0.289551D+00  0.683975D-02 -0.112968D+01
                71            72            73            74            75 
      1   0.619948D+00 -0.112968D+01 -0.751714D+00  0.147551D+00  0.786284D+00
      2  -0.984657D+00  0.109882D+00  0.147551D+00  0.456012D+00  0.190389D+00
      3   0.109882D+00 -0.127667D+00  0.786284D+00  0.190389D+00  0.165550D+00
                76            77            78            79            80 
      1  -0.442596D+00  0.323746D+00  0.423004D+00  0.112735D+01 -0.912744D-01
      2   0.323746D+00 -0.509138D+00  0.772698D+00 -0.912744D-01  0.155233D+01
      3   0.423004D+00  0.772698D+00 -0.208924D+01 -0.772245D+00 -0.183210D+00
                81            82            83            84            85 
      1  -0.772245D+00  0.925314D+00  0.138747D+01 -0.111783D+00  0.178944D+01
      2  -0.183210D+00  0.138747D+01  0.313373D+01  0.495189D+00  0.168698D+01
      3   0.833385D+01 -0.111783D+00  0.495189D+00  0.808584D+00  0.654795D-01
                86            87            88            89            90 
      1   0.168698D+01  0.654795D-01 -0.354544D+00  0.278723D+00  0.298388D+00
      2   0.755689D+01  0.390542D+00  0.278723D+00 -0.409651D+00  0.771866D+00
      3   0.390542D+00  0.906502D+00  0.298388D+00  0.771866D+00  0.521278D+00
                91            92            93            94            95 
      1  -0.102076D+02 -0.192804D+01  0.105802D+01 -0.240552D+00 -0.642735D+00
      2  -0.192804D+01 -0.188746D+01 -0.224992D+00 -0.642735D+00 -0.285493D+00
      3   0.105802D+01 -0.224992D+00 -0.136403D+01 -0.377278D+00  0.162150D+00
                96            97            98            99           100 
      1  -0.377278D+00  0.325119D+01  0.125522D+00 -0.796010D+00 -0.522105D+00
      2   0.162150D+00  0.125522D+00  0.680609D+00 -0.342901D+00 -0.785271D+00
      3  -0.335573D-01 -0.796010D+00 -0.342901D+00  0.601330D+00 -0.531828D+00
               101           102           103           104           105 
      1  -0.785271D+00 -0.531828D+00 -0.120607D+01 -0.100265D+01 -0.853812D+00
      2  -0.188128D+00 -0.381112D+00 -0.100265D+01 -0.399151D+01 -0.233830D+01
      3  -0.381112D+00  0.263194D+00 -0.853812D+00 -0.233830D+01 -0.327024D+01
               106           107           108           109           110 
      1  -0.140615D+01 -0.961319D+00 -0.866049D+00 -0.544953D+01 -0.127043D+01
      2  -0.961319D+00 -0.396424D+01 -0.374767D+01 -0.127043D+01 -0.165137D+01
      3  -0.866049D+00 -0.374767D+01 -0.452841D+01 -0.100002D+01  0.667844D+00
               111           112           113           114           115 
      1  -0.100002D+01 -0.304326D+01 -0.280372D+00 -0.358575D+00  0.129230D+00
      2   0.667844D+00 -0.280372D+00 -0.383472D+01  0.111215D+01  0.178993D+00
      3  -0.731688D+00 -0.358575D+00  0.111215D+01 -0.135370D+01  0.602467D-01
               116           117 
      1   0.178993D+00  0.602467D-01
      2   0.102205D+01 -0.982953D+00
      3  -0.982953D+00  0.151800D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.407241D+01 -0.112859D+01 -0.441377D-02  0.711873D+00 -0.511200D+01
      2  -0.561390D+01  0.375277D+01  0.229375D+01  0.372894D+01  0.429484D+00
      3   0.434303D+01 -0.105991D+02  0.969966D+00 -0.451300D+01 -0.115918D+02
                 6             7             8             9            10 
      1  -0.679945D+01 -0.155301D+00 -0.503586D+00  0.957699D+01  0.497553D+00
      2  -0.339067D+01 -0.231326D+01 -0.254856D+01  0.779280D+01 -0.412062D+01
      3  -0.793633D+00  0.160025D+01 -0.247851D-01  0.355152D+01 -0.236295D+01
                11            12            13            14            15 
      1  -0.116990D+01  0.191412D+01  0.995523D+00 -0.263144D+01  0.284255D+01
      2   0.230232D+01  0.228850D+01 -0.149997D+01  0.172362D+01  0.100145D+01
      3  -0.145406D+01 -0.261481D+01  0.261640D+01  0.529751D+01 -0.250452D+01
                16            17            18            19            20 
      1  -0.101385D+00  0.502657D+01 -0.102802D+01  0.227944D+01  0.562666D-01
      2  -0.581307D+01  0.260950D+01 -0.206132D+01  0.435558D+01 -0.310918D+01
      3  -0.933629D+00 -0.209362D+00 -0.186216D+01 -0.280657D+01  0.600948D+01
                21            22            23            24            25 
      1   0.264314D+01 -0.258013D+01  0.831217D+01  0.344846D+01 -0.349618D+01
      2  -0.649509D+01 -0.680659D+01  0.721831D+00 -0.283270D+01 -0.141054D+02
      3   0.930244D+00  0.860589D+01  0.495801D+01  0.170624D+01  0.508222D+01
                26            27            28            29            30 
      1   0.760728D+01 -0.805943D+01 -0.806356D+00 -0.209972D+01 -0.490525D+01
      2   0.184437D+01 -0.167517D+01  0.125869D+01 -0.104809D+00  0.918140D+01
      3   0.102855D+00  0.110181D+01  0.208899D+01 -0.115046D+02  0.129618D+01
                31            32            33            34            35 
      1   0.526274D+00 -0.338363D+01 -0.633680D+01  0.165364D+01  0.255370D+01
      2   0.428289D+01 -0.137082D+01  0.453116D+01  0.202055D+01  0.142117D+01
      3   0.218689D+01 -0.107284D+02  0.545777D+00 -0.185840D+01  0.790304D+00
                36            37            38            39            40 
      1   0.212872D+01 -0.257771D+01  0.226180D+01 -0.920889D+00  0.208756D+01
      2  -0.197592D+01  0.140360D+01 -0.156476D+01  0.324055D+01 -0.105130D+01
      3  -0.346945D+01 -0.127325D+02 -0.758105D+01  0.269043D+01  0.469884D+01
                41            42            43            44            45 
      1   0.576111D+01 -0.180370D+01  0.145632D+01  0.904740D+01  0.568917D+01
      2  -0.315620D+01 -0.292732D+01 -0.372224D+01 -0.435943D+01 -0.264248D+01
      3  -0.177010D+01  0.140421D+01  0.415510D+01  0.160677D+01  0.377910D+01
                46            47            48            49            50 
      1   0.314248D+01  0.294210D+01  0.339846D+01  0.344209D+01 -0.101302D+01
      2  -0.708031D+01 -0.295994D+01  0.513647D+01 -0.118773D+01 -0.280259D+00
      3  -0.147537D+02 -0.113024D+02 -0.806268D+00 -0.621164D+01 -0.166017D+00
                51            52            53            54            55 
      1  -0.403457D+01  0.249327D+01  0.136851D+01  0.353118D+01  0.245208D+00
      2  -0.835479D+00  0.157817D+01 -0.267456D+01  0.397369D+01  0.571000D+00
      3  -0.204565D+01 -0.192512D+01  0.230206D+00  0.146696D+01  0.132208D+01
                56            57            58            59            60 
      1   0.230323D+00  0.202539D+00 -0.418978D+00 -0.667209D+00 -0.162354D+01
      2  -0.196220D+00  0.646825D+00  0.107803D+01  0.416535D+00 -0.129383D+01
      3  -0.124940D+01  0.176826D+00  0.165552D+01  0.204688D+00 -0.516504D+00
                61            62            63            64            65 
      1   0.823850D+00  0.252715D+01  0.379117D+01  0.124376D+01 -0.443422D+00
      2  -0.290509D+01 -0.168669D+01  0.391403D+01  0.467838D+01 -0.965545D+00
      3  -0.163933D+01 -0.139408D+01  0.277670D+00 -0.888609D+01 -0.291427D+01
                66            67            68            69            70 
      1   0.264864D+01 -0.780996D+00  0.813055D+00 -0.869044D+00  0.146857D+01
      2   0.538418D+01 -0.127609D+01  0.506945D+00 -0.476659D+00  0.111027D+01
      3  -0.136463D+01  0.173856D+01  0.918138D+00 -0.156978D+00 -0.127925D+01
                71            72            73            74            75 
      1   0.538473D+00  0.268530D+00 -0.111102D+01  0.379965D+00  0.150137D+00
      2   0.668416D-02  0.110641D+01 -0.633681D+00 -0.163736D+00  0.132667D+00
      3  -0.134678D+01 -0.154363D+01 -0.814604D+00  0.802315D-01  0.106509D+01
                76            77            78            79            80 
      1   0.127465D+00 -0.231722D+01  0.219131D+01  0.616653D+00  0.448405D+01
      2   0.204440D+00 -0.115444D+01  0.261885D+01 -0.251087D+01  0.841005D+00
      3   0.580104D+00 -0.767872D-02  0.147819D+01  0.136254D+01  0.210616D+01
                81            82            83            84            85 
      1  -0.116346D+02  0.157140D+01  0.952964D+00 -0.201557D+01  0.922059D+00
      2  -0.108304D+02 -0.619298D+00 -0.109345D+01  0.370426D-01 -0.114654D+01
      3  -0.164140D+01  0.542583D+01  0.517612D+01 -0.304255D+00  0.760458D+01
                86            87            88            89            90 
      1   0.350493D+01 -0.331808D+01 -0.696504D+00  0.152913D+00 -0.319397D+00
      2  -0.191802D+01 -0.585964D+00 -0.105999D+01 -0.658543D+00 -0.816004D+00
      3   0.123086D+02  0.563096D+00 -0.916016D+00  0.293087D+00  0.161056D+01
                91            92            93            94            95 
      1   0.358495D+01  0.343859D+00 -0.205785D+01 -0.415462D+00  0.763706D+00
      2  -0.200889D+01 -0.461076D+00  0.462613D+01  0.302394D+00 -0.693223D+00
      3   0.123659D+02 -0.297173D+01 -0.173991D+01 -0.204550D+00  0.102709D+01
                96            97            98            99           100 
      1  -0.141486D+00 -0.107882D+01 -0.187289D+00  0.741063D+00 -0.326159D-01
      2  -0.269034D+00  0.507961D+00  0.473424D+00 -0.157426D+01  0.234400D+00
      3   0.120335D+01 -0.542107D+01  0.187601D+01  0.261565D+00  0.154481D+00
               101           102           103           104           105 
      1  -0.451201D-01  0.398227D+00 -0.172783D+01 -0.246290D+01 -0.573891D+01
      2   0.301513D+00 -0.200415D+00  0.594488D+00  0.302295D+01  0.468639D+01
      3  -0.361429D-02 -0.303683D+00  0.196651D+01 -0.374203D+01 -0.136727D+01
               106           107           108           109           110 
      1  -0.165314D+01 -0.312860D+01 -0.717510D+01 -0.396469D+01 -0.228053D+01
      2  -0.944153D+00  0.479193D+01  0.573004D+01  0.752768D+01  0.299291D+01
      3   0.157242D+01 -0.408648D+01 -0.376583D+01  0.155319D+02  0.839616D+01
               111           112           113           114           115 
      1  -0.145129D+01 -0.284207D+01 -0.298351D+00 -0.217764D+01 -0.206793D+00
      2  -0.191110D+01  0.277704D+01  0.175160D+01 -0.226208D+00 -0.295961D+01
      3   0.127468D+01  0.103926D+02  0.441685D+01  0.436488D+00  0.200269D+00
               116           117 
      1   0.431650D+00  0.121985D+01
      2  -0.118512D+01 -0.894163D+00
      3   0.560929D-01  0.233288D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.283835D+02  0.174273D+02 -0.358259D+01  0.158820D+02  0.110474D+02
      2   0.589614D+01 -0.160375D+02  0.421008D+00 -0.142121D+02 -0.158286D+02
      3   0.224874D+02 -0.138981D+01  0.316159D+01 -0.166995D+01  0.478123D+01
      4   0.225199D+02 -0.138745D+01  0.650086D+01  0.411634D+01 -0.444042D+01
      5  -0.302146D+01  0.152713D+01  0.264394D+01  0.224153D+01 -0.556006D+01
      6   0.442042D+01 -0.409589D+01 -0.942557D+00 -0.503989D+01  0.330858D+01
                 6             7             8             9            10 
      1  -0.236381D+01 -0.742369D+01 -0.107037D+01  0.338983D+01  0.112170D+02
      2  -0.180543D+01  0.963017D-01  0.666129D+00  0.144948D+02 -0.536875D+01
      3   0.416924D+01  0.732738D+01  0.404245D+00 -0.178846D+02 -0.584826D+01
      4  -0.460587D+01  0.106777D+02 -0.718536D+01 -0.874598D+01 -0.810549D+00
      5  -0.689194D+01  0.265733D+01 -0.697715D+01  0.131206D+02 -0.756176D+00
      6   0.808500D+01 -0.325338D+01  0.622184D+01 -0.550144D+01 -0.690831D+00
                11            12            13            14            15 
      1   0.383532D+01 -0.476617D+01 -0.654764D+01  0.443477D+01 -0.670945D+01
      2  -0.561674D+01  0.299584D+01  0.353890D+01 -0.410562D+01 -0.667086D+00
      3   0.178142D+01  0.177033D+01  0.300875D+01 -0.329149D+00  0.737653D+01
      4  -0.269499D+01 -0.294496D+01 -0.138621D+02 -0.188975D+01  0.572292D+00
      5  -0.120966D+01 -0.493549D+00 -0.669919D+01  0.631666D+00  0.178230D+01
      6   0.463661D+01 -0.345671D+01 -0.372319D+00  0.255753D+00 -0.135046D+02
                16            17            18            19            20 
      1   0.487267D+01 -0.255525D+01  0.839155D+01 -0.186275D+02 -0.388377D+01
      2   0.800024D+00 -0.799901D+01  0.548766D+01  0.889430D+01 -0.722661D+00
      3  -0.567269D+01  0.105543D+02 -0.138792D+02  0.973324D+01  0.460643D+01
      4  -0.467839D+01  0.600449D+01  0.953914D+01 -0.171870D+02 -0.189749D+02
      5  -0.234075D+00  0.686851D+01 -0.846169D+01  0.682891D+01  0.499206D+01
      6   0.392699D+01 -0.282685D+01  0.850400D+01 -0.931187D+00 -0.147099D+00
                21            22            23            24            25 
      1   0.366970D+01 -0.165715D+02 -0.244560D+01 -0.127967D+01  0.395812D+01
      2  -0.213651D+01  0.114261D+02 -0.605247D+01 -0.617713D+01 -0.279610D+01
      3  -0.153319D+01  0.514538D+01  0.849806D+01  0.745680D+01 -0.116201D+01
      4   0.470269D+01 -0.157368D+02 -0.526252D+01 -0.189620D+01  0.852660D+01
      5  -0.121999D+02  0.920186D+01 -0.794881D+00 -0.563244D+01 -0.194230D+01
      6  -0.233730D+01 -0.698223D+00  0.481658D+01 -0.592186D+01  0.970405D+00
                26            27            28            29            30 
      1  -0.144140D+01 -0.581450D+01  0.412398D+02  0.102290D+02 -0.406619D+01
      2   0.638209D+01 -0.746718D+00 -0.211832D+02  0.208288D-01  0.531627D+01
      3  -0.494069D+01  0.656122D+01 -0.200566D+02 -0.102498D+02 -0.125008D+01
      4  -0.533922D+01 -0.202177D+01  0.274335D+02  0.249845D+02 -0.436813D+01
      5   0.274788D-01 -0.715012D+00 -0.117646D+02 -0.471241D+01  0.174192D+02
      6   0.484920D+01  0.604644D+01 -0.754828D+00 -0.125091D+01  0.581461D+01
                31            32            33            34            35 
      1   0.153021D+02  0.289312D+01  0.584833D+00 -0.492923D+01  0.843079D+00
      2  -0.430086D+01  0.105286D+02  0.158192D+01  0.438440D+01 -0.155891D+00
      3  -0.110013D+02 -0.134217D+02 -0.216675D+01  0.544830D+00 -0.687187D+00
      4   0.281271D+02  0.273679D+02 -0.393880D+01 -0.418844D+01 -0.280734D+01
      5  -0.462641D+01 -0.467405D+01  0.988406D+01  0.167101D+02  0.803092D+01
      6  -0.239434D+01 -0.220840D+01  0.891554D+01  0.456645D+01  0.673787D+01
                36            37            38            39            40 
      1   0.352156D+01 -0.205058D+02 -0.619138D+01  0.911478D+01 -0.332224D+00
      2  -0.679438D+01  0.118424D+02  0.728366D+01 -0.737040D+01  0.314636D+01
      3   0.327282D+01  0.866342D+01 -0.109228D+01 -0.174438D+01 -0.281413D+01
      4   0.872829D+01 -0.105389D+02  0.670254D+01 -0.915092D+00  0.111814D+02
      5  -0.947602D+01  0.557073D+01 -0.303034D+01  0.607290D+01 -0.234599D+01
      6  -0.377349D+01  0.192410D+01 -0.402649D+01  0.192908D+01 -0.149199D+01
                41            42            43            44            45 
      1  -0.490951D+01  0.364473D+01  0.921977D+01  0.279117D+01  0.451372D+01
      2   0.149971D+02 -0.252306D+01 -0.859766D+01 -0.723816D+00 -0.713561D+01
      3  -0.100876D+02 -0.112167D+01 -0.622109D+00 -0.206736D+01  0.262189D+01
      4   0.919319D+01 -0.369671D+01 -0.827622D+00 -0.925114D+01 -0.611969D+01
      5  -0.439466D+01 -0.568126D+01  0.437744D+01 -0.765060D+01 -0.517168D+01
      6  -0.101691D+02  0.173588D+00 -0.142893D+01 -0.690838D+01 -0.122792D+02
                46            47            48            49            50 
      1   0.140940D+02  0.416362D+00 -0.593711D+00  0.390906D+01 -0.559087D+01
      2  -0.770909D+01 -0.485646D+01 -0.250729D+01 -0.722482D+01  0.135196D+02
      3  -0.638495D+01  0.444010D+01  0.310100D+01  0.331577D+01 -0.792877D+01
      4  -0.180984D+02  0.166027D+02 -0.600945D+01  0.106147D+02 -0.162705D+02
      5   0.493776D+01 -0.447053D+01  0.114463D+02 -0.274760D+01  0.442352D+01
      6  -0.356056D+01  0.284085D+01 -0.546522D+01  0.132964D+01 -0.473214D+01
                51            52            53            54            55 
      1   0.318626D+01 -0.184979D+01  0.358340D+01 -0.437776D+01 -0.275869D+00
      2   0.475029D+00  0.153478D+00 -0.249865D+01 -0.474796D+01 -0.233744D+01
      3  -0.366129D+01  0.169631D+01 -0.108475D+01  0.912573D+01  0.261331D+01
      4   0.312748D+01 -0.313668D+01  0.504084D+01 -0.712055D+01 -0.876992D+00
      5  -0.286620D+01  0.974211D+01 -0.603716D+01  0.984830D+01  0.138141D+01
      6   0.103448D+02 -0.363817D+01  0.851974D+01 -0.739074D+01 -0.216290D+01
                56            57            58            59            60 
      1  -0.782739D+00  0.212809D+01  0.128967D+01 -0.643794D+01  0.552029D+01
      2   0.737367D+00 -0.906530D+00 -0.480159D+00  0.175909D+01  0.832319D-01
      3   0.453714D-01 -0.122156D+01 -0.809513D+00  0.467885D+01 -0.560352D+01
      4   0.329013D+01 -0.141498D+01  0.356022D+01 -0.360958D+01  0.241667D+01
      5  -0.164423D+01  0.670912D+01 -0.516557D+00  0.218830D+01 -0.335515D+01
      6  -0.640388D+00  0.293353D+00  0.558259D+00 -0.664164D+01  0.108271D+02
                61            62            63            64            65 
      1  -0.529392D+00  0.573897D+01 -0.185425D+02  0.449114D+02 -0.915281D+01
      2  -0.433266D+00  0.291308D+01 -0.140884D+02 -0.165956D+02 -0.512326D+00
      3   0.962658D+00 -0.865205D+01  0.326308D+02 -0.283158D+02  0.966514D+01
      4  -0.795078D+00  0.384211D+01 -0.433013D+01 -0.323539D+02  0.170579D+02
      5   0.462949D+01 -0.320261D+01  0.112162D+02 -0.133953D+01  0.763212D+00
      6  -0.163692D+01  0.849302D+01 -0.143156D+02 -0.178144D+01 -0.403427D+00
                66            67            68            69            70 
      1   0.421861D+01 -0.372409D+01  0.277548D+01 -0.273307D+00  0.840710D+01
      2  -0.801651D+00 -0.189788D+01  0.380075D+01 -0.188933D+00 -0.281687D+01
      3  -0.341696D+01  0.562197D+01 -0.657624D+01  0.462240D+00 -0.559023D+01
      4  -0.224750D+01  0.124489D+02 -0.832955D+01  0.172645D+01 -0.629570D+01
      5   0.730337D+01  0.102909D+00  0.823080D+00 -0.438480D+00  0.715637D+01
      6  -0.448319D+01  0.616848D+00 -0.704848D-01  0.151802D+01 -0.373235D+01
                71            72            73            74            75 
      1  -0.438016D+00  0.378667D+01  0.316234D+01 -0.187198D+01 -0.247051D+01
      2  -0.140962D+01 -0.380981D+01 -0.331962D+01  0.150096D+01  0.166241D+01
      3   0.184764D+01  0.231427D-01  0.157277D+00  0.371028D+00  0.808096D+00
      4   0.473660D+01 -0.312623D+01 -0.245680D+01  0.962654D+00  0.587904D+00
      5  -0.131216D+01  0.207501D+01 -0.197488D+01 -0.579418D+00  0.515034D+01
      6   0.176188D+01 -0.117270D+01  0.530421D+00  0.847113D+00  0.123262D+00
                76            77            78            79            80 
      1  -0.255339D+00 -0.247929D+01  0.633217D+00 -0.246825D+01 -0.139379D+01
      2   0.949712D-01  0.995621D-01  0.518505D+01  0.307085D+01  0.462833D+01
      3   0.160368D+00  0.237972D+01 -0.581827D+01 -0.602602D+00 -0.323454D+01
      4   0.206919D+00  0.228971D+01 -0.215431D+01  0.220306D+01 -0.417997D+01
      5  -0.242105D+01 -0.171142D+01  0.502232D+01  0.700896D+01  0.915659D+00
      6   0.152540D+00 -0.997469D+00  0.209461D+01 -0.103229D+01  0.419177D+01
                81            82            83            84            85 
      1  -0.125213D+02 -0.211606D+01 -0.103228D+02 -0.770009D+00 -0.890197D+01
      2  -0.185185D+02  0.588937D+01  0.147045D+02  0.272979D+00  0.101682D+02
      3   0.310398D+02 -0.377330D+01 -0.438167D+01  0.497030D+00 -0.126620D+01
      4   0.158649D+01  0.224905D+01  0.234654D+01 -0.815145D+00  0.493454D+01
      5  -0.204974D+02  0.179708D+01  0.116247D+01 -0.361916D+00  0.206770D+01
      6   0.133609D+02  0.338880D+00  0.275860D+01  0.315317D+01  0.171420D+01
                86            87            88            89            90 
      1  -0.243360D+02 -0.135444D+01  0.422313D+00  0.927001D-01 -0.389838D+01
      2   0.395849D+02  0.689888D+00  0.145343D-01 -0.123269D+01  0.220414D+01
      3  -0.152489D+02  0.664555D+00 -0.436847D+00  0.113999D+01  0.169424D+01
      4  -0.626176D+01 -0.463119D-01 -0.149683D+01  0.101227D+01  0.590785D+00
      5   0.197375D+01 -0.124946D+01  0.947086D+00 -0.249928D+00 -0.123003D+01
      6   0.564182D+01  0.603701D+01  0.213567D+01  0.611224D+01  0.673562D+00
                91            92            93            94            95 
      1   0.434349D+02  0.488562D+01 -0.620563D+01 -0.638161D+00  0.173483D+01
      2  -0.221291D+02 -0.561736D+00  0.289913D+01  0.152615D+01  0.418601D+00
      3  -0.213058D+02 -0.432388D+01  0.330649D+01 -0.887987D+00 -0.215343D+01
      4   0.202169D+02  0.967645D+01 -0.149677D+01  0.565896D+01  0.126019D+01
      5  -0.246805D+01  0.668203D+00  0.646686D+01  0.189284D+01 -0.687332D+00
      6  -0.192437D+01  0.106786D+01  0.335461D+01  0.683006D+00 -0.155584D+00
                96            97            98            99           100 
      1   0.168995D+01 -0.121166D+02 -0.173971D+00  0.294801D+01  0.164899D+01
      2  -0.119246D+01  0.762715D+01 -0.611587D+00 -0.239351D+01 -0.743839D+00
      3  -0.497485D+00  0.448945D+01  0.785558D+00 -0.554509D+00 -0.905155D+00
      4  -0.212061D+00 -0.539815D+01 -0.125255D+01  0.148090D+01  0.344244D+01
      5  -0.193132D+00  0.483734D+01  0.109949D+01 -0.249640D+01  0.204824D+01
      6   0.129299D+01  0.101736D+01  0.206755D+01 -0.106260D+01  0.227587D+01
               101           102           103           104           105 
      1   0.166171D+01  0.152121D+01  0.195307D+01 -0.733286D+01 -0.462772D+01
      2  -0.243768D+00 -0.593063D-01 -0.569780D+00  0.865268D+01  0.420625D+01
      3  -0.141794D+01 -0.146191D+01 -0.138329D+01 -0.131982D+01  0.421466D+00
      4   0.458239D+01  0.329051D+01  0.645985D+01  0.109399D+02  0.727599D+01
      5   0.290977D+01  0.286461D+01  0.419111D+01  0.776845D+01  0.101121D+02
      6   0.723708D+00  0.119786D+00  0.441608D+01  0.134518D+02  0.145232D+02
               106           107           108           109           110 
      1   0.233875D+01 -0.738539D+01 -0.998224D+01 -0.682072D+01 -0.325040D+01
      2  -0.124389D+01  0.409708D+01  0.188674D+01  0.537500D+01  0.280416D+01
      3  -0.109486D+01  0.328830D+01  0.809550D+01  0.144572D+01  0.446233D+00
      4   0.527214D+01  0.106464D+02  0.935565D+01  0.871020D+01 -0.331235D+01
      5   0.568753D+01  0.110382D+02  0.131557D+02 -0.133411D+01  0.108447D+01
      6   0.389764D+01  0.163688D+02  0.184025D+02  0.231642D+01 -0.231054D+01
               111           112           113           114           115 
      1   0.167619D+01 -0.286474D+01 -0.924424D+01  0.304196D+01  0.161348D+00
      2   0.277155D+00  0.178435D+01  0.124073D+02 -0.305298D+01 -0.195842D+00
      3  -0.195335D+01  0.108039D+01 -0.316304D+01  0.110122D-01  0.344943D-01
      4   0.259078D+01  0.452412D+01 -0.273725D+01  0.133672D+01  0.137439D+00
      5  -0.429919D+01 -0.341164D+00  0.136276D-01 -0.492677D+00  0.656797D+00
      6   0.189712D+01  0.431505D+00 -0.503897D+01  0.433654D+01  0.457050D+00
               116           117 
      1   0.310171D+01 -0.389597D+01
      2  -0.236261D+01  0.168014D+01
      3  -0.739107D+00  0.221583D+01
      4  -0.126716D+01  0.183099D+00
      5  -0.301080D+00 -0.146221D+01
      6   0.424750D+01 -0.403096D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Aug 11 18:33:08 2021, MaxMem=  6442450944 cpu:            2049.7 elap:             257.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18697 -19.13179 -14.35823 -10.31230 -10.24743
 Alpha  occ. eigenvalues --  -10.20179  -1.10704  -1.02636  -0.92887  -0.77424
 Alpha  occ. eigenvalues --   -0.66912  -0.60291  -0.53573  -0.53176  -0.50069
 Alpha  occ. eigenvalues --   -0.45712  -0.44360  -0.42024  -0.40492  -0.38659
 Alpha  occ. eigenvalues --   -0.37143  -0.31981  -0.30775  -0.26828
 Alpha virt. eigenvalues --   -0.02940  -0.00749   0.00098   0.01133   0.01327
 Alpha virt. eigenvalues --    0.03240   0.03825   0.04326   0.05739   0.06146
 Alpha virt. eigenvalues --    0.07155   0.08865   0.09404   0.09913   0.10322
 Alpha virt. eigenvalues --    0.10576   0.10854   0.11344   0.12729   0.12784
 Alpha virt. eigenvalues --    0.13239   0.13902   0.14372   0.15062   0.17778
 Alpha virt. eigenvalues --    0.18321   0.18863   0.20267   0.21291   0.22068
 Alpha virt. eigenvalues --    0.22267   0.23579   0.24259   0.25142   0.26445
 Alpha virt. eigenvalues --    0.26501   0.27038   0.28590   0.30636   0.31933
 Alpha virt. eigenvalues --    0.32561   0.33199   0.33780   0.34211   0.36047
 Alpha virt. eigenvalues --    0.36587   0.37955   0.38285   0.39456   0.39967
 Alpha virt. eigenvalues --    0.40885   0.41994   0.42567   0.43446   0.44382
 Alpha virt. eigenvalues --    0.44662   0.46359   0.48696   0.49537   0.49891
 Alpha virt. eigenvalues --    0.52739   0.54198   0.55026   0.56074   0.56398
 Alpha virt. eigenvalues --    0.57291   0.58290   0.60024   0.60242   0.62152
 Alpha virt. eigenvalues --    0.63077   0.63717   0.65673   0.66970   0.68296
 Alpha virt. eigenvalues --    0.70995   0.71049   0.73046   0.75449   0.76186
 Alpha virt. eigenvalues --    0.77312   0.79473   0.82145   0.83434   0.83999
 Alpha virt. eigenvalues --    0.86417   0.89418   0.92368   0.92531   0.94290
 Alpha virt. eigenvalues --    0.96079   0.97374   1.01221   1.04069   1.05933
 Alpha virt. eigenvalues --    1.07122   1.07962   1.09660   1.09936   1.15722
 Alpha virt. eigenvalues --    1.16712   1.19215   1.19656   1.22019   1.23171
 Alpha virt. eigenvalues --    1.29795   1.31505   1.35864   1.37483   1.41457
 Alpha virt. eigenvalues --    1.45489   1.46542   1.48466   1.49478   1.51575
 Alpha virt. eigenvalues --    1.60167   1.61371   1.62521   1.63047   1.64586
 Alpha virt. eigenvalues --    1.66124   1.72547   1.73466   1.75343   1.76949
 Alpha virt. eigenvalues --    1.81498   1.84144   1.84424   1.87745   1.89855
 Alpha virt. eigenvalues --    1.93070   1.94997   1.97559   2.00455   2.03794
 Alpha virt. eigenvalues --    2.05528   2.07614   2.08355   2.10406   2.11879
 Alpha virt. eigenvalues --    2.13575   2.19026   2.20761   2.23935   2.25202
 Alpha virt. eigenvalues --    2.27561   2.32487   2.35270   2.38344   2.42397
 Alpha virt. eigenvalues --    2.46763   2.47164   2.53289   2.57777   2.58384
 Alpha virt. eigenvalues --    2.60990   2.64405   2.69100   2.74921   2.80448
 Alpha virt. eigenvalues --    2.85184   2.91840   2.96778   3.01203   3.16075
 Alpha virt. eigenvalues --    3.26109   3.34996   3.35858   3.37466   3.40016
 Alpha virt. eigenvalues --    3.42572   3.44819   3.46164   3.55319   3.70239
 Alpha virt. eigenvalues --    3.80300   3.95021
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.378404   0.248928  -0.270841   0.062210  -0.054308   0.058526
     2  C    0.248928   6.328888  -0.453011  -0.019735   0.014328   0.136108
     3  C   -0.270841  -0.453011   6.214521   0.169022   0.044968  -0.276485
     4  O    0.062210  -0.019735   0.169022   8.374670  -0.020136  -0.052518
     5  N   -0.054308   0.014328   0.044968  -0.020136   6.564014  -0.075685
     6  O    0.058526   0.136108  -0.276485  -0.052518  -0.075685   8.418132
     7  H    0.132665  -0.692649  -0.086578   0.034116  -0.038036   0.007410
     8  H    0.030434   0.410528  -0.044002   0.004818  -0.071589   0.000791
     9  H    0.383617  -0.250470  -0.092074   0.018071  -0.010571   0.032773
    10  H    0.106757   0.000516   0.063874  -0.015466   0.004443  -0.010573
    11  H   -0.036709  -0.159733   0.001855   0.001049   0.323173   0.005756
    12  H   -0.034241   0.176729  -0.033487   0.001581   0.343040  -0.006829
    13  H   -0.013438  -0.152138  -0.015847   0.010751   0.080960   0.196707
               7          8          9         10         11         12
     1  C    0.132665   0.030434   0.383617   0.106757  -0.036709  -0.034241
     2  C   -0.692649   0.410528  -0.250470   0.000516  -0.159733   0.176729
     3  C   -0.086578  -0.044002  -0.092074   0.063874   0.001855  -0.033487
     4  O    0.034116   0.004818   0.018071  -0.015466   0.001049   0.001581
     5  N   -0.038036  -0.071589  -0.010571   0.004443   0.323173   0.343040
     6  O    0.007410   0.000791   0.032773  -0.010573   0.005756  -0.006829
     7  H    2.192846  -0.127647   0.128003  -0.055916   0.048575  -0.135055
     8  H   -0.127647   1.814237  -0.384447  -0.331415  -0.024892   0.016840
     9  H    0.128003  -0.384447   1.701985  -0.303494  -0.010062  -0.003216
    10  H   -0.055916  -0.331415  -0.303494   1.822710   0.012872  -0.008166
    11  H    0.048575  -0.024892  -0.010062   0.012872   1.011689  -0.166097
    12  H   -0.135055   0.016840  -0.003216  -0.008166  -0.166097   0.922902
    13  H    0.016404  -0.006503  -0.002388   0.006715   0.003212  -0.013512
              13
     1  C   -0.013438
     2  C   -0.152138
     3  C   -0.015847
     4  O    0.010751
     5  N    0.080960
     6  O    0.196707
     7  H    0.016404
     8  H   -0.006503
     9  H   -0.002388
    10  H    0.006715
    11  H    0.003212
    12  H   -0.013512
    13  H    0.696673
 Mulliken charges:
               1
     1  C    1.007998
     2  C    0.411712
     3  C    0.778084
     4  O   -0.568434
     5  N   -0.104601
     6  O   -0.434112
     7  H   -0.424137
     8  H   -0.287153
     9  H   -0.207728
    10  H   -0.292856
    11  H   -0.010686
    12  H   -0.060489
    13  H    0.192404
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.220261
     2  C   -0.012426
     3  C    0.778084
     4  O   -0.568434
     5  N   -0.175777
     6  O   -0.241708
 Electronic spatial extent (au):  <R**2>=            571.7219
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1641    Y=             -1.3051    Z=             -0.5998  Tot=              5.3601
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.6345   YY=            -36.6071   ZZ=            -35.3889
   XY=             -0.7223   XZ=              0.9968   YZ=              2.7100
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.0910   YY=              0.9364   ZZ=              2.1546
   XY=             -0.7223   XZ=              0.9968   YZ=              2.7100
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -17.9614  YYY=             -7.2726  ZZZ=             -2.2749  XYY=             -4.8547
  XXY=             -6.8875  XXZ=             -0.2545  XZZ=             -0.7612  YZZ=             -3.7865
  YYZ=             -1.4055  XYZ=              0.7888
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -378.9394 YYYY=           -242.0260 ZZZZ=            -91.3773 XXXY=              6.6457
 XXXZ=              2.1429 YYYX=              3.9030 YYYZ=              3.1788 ZZZX=              3.0930
 ZZZY=              1.1018 XXYY=           -109.8978 XXZZ=            -81.3178 YYZZ=            -54.1352
 XXYZ=              5.3979 YYXZ=              6.3010 ZZXY=              3.4105
 N-N= 2.508132569717D+02 E-N=-1.259144664479D+03  KE= 3.218756601539D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Aug 11 18:33:09 2021, MaxMem=  6442450944 cpu:               3.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.04538836D+00-5.32798870D-01-2.41207447D-01
 Polarizability= 5.53894139D+01 2.07466857D+00 5.36253798D+01
                -3.70774911D-01-2.08194124D+00 4.34536877D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0474    0.0473        1.1242    1.1248
 2     -0.0474   -0.0473        1.2692    1.2696       -1.1985   -1.1990
 3     -1.1242   -1.1248        6.7558    6.7561       -1.2699   -1.2696
 4     -1.2692   -1.2696       -0.0000    0.0000       -1.1248   -1.1248
 5     -5.5573   -5.5571        1.1248    1.1248        0.0472    0.0473
 6      1.2699    1.2696       -0.0472   -0.0473        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1420   -0.1420        3.3743    3.3743
 2     -3.8089   -3.8089       -0.0000    0.0000        3.3743    3.3743
 3     -3.8089   -3.8089       -0.1420   -0.1420       -0.0000    0.0000
 4     -0.1420   -0.1420        3.8089    3.8089       -3.5970   -3.5970
 5     -3.3743   -3.3743       20.2682   20.2682       -3.8089   -3.8089
 6    -16.6712  -16.6712        3.3743    3.3743        0.1420    0.1420
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0033    0.0000       -0.2103   -0.1893       -4.5164   -4.4991
 2      0.1861    0.1893       -5.0739   -5.0786        4.8060    4.7960
 3      4.5063    4.4991      -27.0610  -27.0242        5.0962    5.0786
 4      5.0696    5.0786       -0.0122    0.0000        4.4767    4.4991
 5     22.1965   22.2283       -4.5266   -4.4991       -0.1913   -0.1893
 6     -5.1165   -5.0786        0.1840    0.1893        0.0087    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0230    0.0000       -8.4505   -8.4005        2.0037    2.0286
 2      8.3451    8.4005       -5.6483   -5.7736       19.7310   19.6791
 3     -2.1135   -2.0286       -0.9424   -0.9888        5.7600    5.7736
 4      5.7768    5.7736       -0.0079    0.0000       -2.0333   -2.0286
 5    -18.7700  -18.6903        2.0258    2.0286       -8.4385   -8.4005
 6     -5.7882   -5.7736        8.4920    8.4005        0.0424    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1508    0.2147      -13.1647  -13.2164       -6.2183   -6.2248
 2      6.5473    6.5832      -13.9615  -13.9166       -6.2736   -6.2248
 3      6.5327    6.5832      -13.2298  -13.2164       -7.7069   -7.6733
 4      0.6993    0.7003       -6.2787   -6.3686       14.1681   14.1106
 5     -1.5082   -1.4485       12.8558   12.8384        6.3819    6.3686
 6    -27.0194  -26.9490        1.3890    1.4485       -0.7305   -0.7003
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2270   -0.0011   -0.0010   -0.0006    5.3769    7.6607
 Low frequencies ---   71.0656  239.9752  256.0351
 Diagonal vibrational polarizability:
       17.3564557      12.5954481       9.1215929
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0626               239.9752               256.0351
 Red. masses --      3.8742                 1.3821                 1.5419
 Frc consts  --      0.0115                 0.0469                 0.0596
 IR Inten    --      1.0987                 1.2856                 1.4789
 RamAct Fr= 1--      0.9853                 0.4679                 0.2673
  Dep-P Fr= 1--      0.7303                 0.5544                 0.4764
  Dep-U Fr= 1--      0.8441                 0.7134                 0.6453
 Alpha2 Fr= 1--      0.0003                 0.0017                 0.0015
 Beta2  Fr= 1--      0.1386                 0.0556                 0.0287
 AlphaG Fr= 1--      0.0009                -0.0021                -0.0048
 Gamma2 Fr= 1--      0.2102                -0.0180                -0.1757
 Delta2 Fr= 1--      0.1166                -0.0780                -0.0074
 Raman1 Fr= 1--       3.941                  1.871                  1.069
 ROA1   Fr= 1--      23.911                 -4.222                -17.106
 CID1   Fr= 1--       6.067                 -2.256                -16.002
 Raman2 Fr= 1--       1.663                  0.667                  0.345
 ROA2   Fr= 1--       4.112                  0.193                 -4.158
 CID2   Fr= 1--       2.472                  0.289                -12.053
 Raman3 Fr= 1--       3.327                  1.335                  0.690
 ROA3   Fr= 1--      23.911                 -4.222                -17.106
 CID3   Fr= 1--       7.187                 -3.162                -24.797
 RC180  Fr= 1--       0.688                  0.427                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.12   0.19     0.12  -0.01   0.01    -0.12   0.03  -0.01
     2   6    -0.00   0.05  -0.01    -0.01  -0.03  -0.06    -0.00   0.05   0.05
     3   6    -0.01   0.01  -0.03    -0.02  -0.01  -0.02     0.01   0.01   0.02
     4   8     0.05  -0.11  -0.21    -0.04   0.04   0.05     0.06  -0.05  -0.01
     5   7     0.02   0.02  -0.16    -0.01  -0.02  -0.03     0.05   0.03   0.05
     6   8    -0.08   0.14   0.21    -0.04   0.02   0.03    -0.01  -0.05  -0.07
     7   1    -0.02   0.22   0.05    -0.05  -0.03  -0.05     0.01   0.05   0.04
     8   1    -0.02  -0.12   0.27    -0.04  -0.31   0.43    -0.22  -0.31   0.12
     9   1     0.07  -0.28   0.13     0.66   0.20   0.06     0.13   0.22   0.05
    10   1    -0.05  -0.08   0.30    -0.12   0.10  -0.41    -0.40   0.18  -0.26
    11   1    -0.09  -0.01  -0.48     0.01  -0.01   0.04    -0.11   0.02  -0.41
    12   1     0.32  -0.01  -0.15    -0.08  -0.01  -0.04     0.48  -0.14   0.15
    13   1    -0.08   0.15   0.24    -0.04  -0.00  -0.03    -0.05   0.04   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    282.7451               339.0367               392.7301
 Red. masses --      1.3973                 3.4037                 2.9360
 Frc consts  --      0.0658                 0.2305                 0.2668
 IR Inten    --     27.8476                12.0435                 1.1059
 RamAct Fr= 1--      0.6820                 0.7507                 0.9101
  Dep-P Fr= 1--      0.7476                 0.2627                 0.7035
  Dep-U Fr= 1--      0.8555                 0.4162                 0.8260
 Alpha2 Fr= 1--      0.0000                 0.0086                 0.0007
 Beta2  Fr= 1--      0.0972                 0.0521                 0.1253
 AlphaG Fr= 1--     -0.0016                 0.0056                -0.0008
 Gamma2 Fr= 1--      0.3917                 0.0766                 0.2498
 Delta2 Fr= 1--      0.3585                 0.1107                -0.0972
 Raman1 Fr= 1--       2.728                  3.003                  3.640
 ROA1   Fr= 1--      49.078                 10.894                 20.872
 CID1   Fr= 1--      17.992                  3.628                  5.734
 Raman2 Fr= 1--       1.167                  0.625                  1.503
 ROA2   Fr= 1--       6.533                  0.952                  6.773
 CID2   Fr= 1--       5.599                  1.524                  4.505
 Raman3 Fr= 1--       2.334                  1.250                  3.007
 ROA3   Fr= 1--      49.078                 10.894                 20.872
 CID3   Fr= 1--      21.030                  8.719                  6.942
 RC180  Fr= 1--       0.711                 -0.168                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01   0.00    -0.06   0.04  -0.02     0.04   0.20   0.02
     2   6     0.01   0.04   0.02     0.01  -0.03   0.09    -0.04   0.02   0.14
     3   6     0.03   0.02   0.01     0.02  -0.06   0.09    -0.07  -0.02   0.08
     4   8     0.09  -0.04  -0.03    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07
     5   7     0.05  -0.00  -0.03    -0.19   0.07  -0.14     0.17  -0.13  -0.11
     6   8    -0.04   0.01   0.01     0.27  -0.03   0.07    -0.03  -0.05   0.01
     7   1    -0.01   0.02   0.02     0.18   0.05   0.11     0.00   0.05   0.15
     8   1    -0.15  -0.22   0.04    -0.11  -0.20   0.00     0.08   0.35  -0.02
     9   1     0.01   0.05   0.02     0.05   0.25   0.05    -0.01   0.44   0.10
    10   1    -0.28   0.09  -0.06    -0.24   0.12  -0.24     0.22   0.08  -0.19
    11   1     0.26  -0.09   0.61    -0.17   0.19  -0.12     0.17  -0.43  -0.01
    12   1    -0.47   0.25  -0.17    -0.30   0.24  -0.24     0.21   0.15  -0.29
    13   1    -0.05  -0.02  -0.19     0.42  -0.21   0.17    -0.02  -0.09  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    532.4147               639.0061               744.7541
 Red. masses --      4.9058                 4.1232                 4.9450
 Frc consts  --      0.8193                 0.9920                 1.6160
 IR Inten    --      2.0497                 7.1743                14.8971
 RamAct Fr= 1--      3.1593                 1.4896                 2.2169
  Dep-P Fr= 1--      0.1596                 0.6977                 0.0981
  Dep-U Fr= 1--      0.2753                 0.8219                 0.1787
 Alpha2 Fr= 1--      0.0477                 0.0014                 0.0390
 Beta2  Fr= 1--      0.1449                 0.2041                 0.0660
 AlphaG Fr= 1--      0.0022                -0.0025                 0.0307
 Gamma2 Fr= 1--      0.2289                -0.6899                -1.2365
 Delta2 Fr= 1--      0.0497                 0.1491                 0.0461
 Raman1 Fr= 1--      12.637                  5.958                  8.867
 ROA1   Fr= 1--      23.567                -61.461               -117.228
 CID1   Fr= 1--       1.865                -10.315                -13.220
 Raman2 Fr= 1--       1.739                  2.449                  0.792
 ROA2   Fr= 1--       5.097                -17.750                -30.044
 CID2   Fr= 1--       2.930                 -7.249                -37.923
 Raman3 Fr= 1--       3.478                  4.897                  1.584
 ROA3   Fr= 1--      23.567                -61.461               -117.228
 CID3   Fr= 1--       6.775                -12.550                -73.986
 RC180  Fr= 1--      -0.449                  0.644                 -0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10   0.04     0.05  -0.07  -0.02     0.07  -0.11  -0.10
     2   6    -0.22  -0.07   0.03     0.15  -0.13   0.21    -0.05   0.01  -0.04
     3   6     0.02   0.10  -0.08     0.15   0.12   0.12    -0.19   0.24   0.41
     4   8     0.28  -0.07   0.11     0.06   0.16  -0.13     0.02  -0.14  -0.06
     5   7    -0.17  -0.22  -0.05    -0.15  -0.10  -0.01     0.01   0.04  -0.02
     6   8     0.06   0.16  -0.06    -0.17  -0.03  -0.04     0.03   0.05  -0.14
     7   1    -0.39  -0.08   0.04     0.24  -0.14   0.21     0.33  -0.16  -0.12
     8   1    -0.00   0.39   0.13     0.10  -0.15  -0.24     0.01   0.11   0.27
     9   1     0.00   0.26   0.09    -0.10   0.21   0.07     0.34  -0.33  -0.17
    10   1     0.23  -0.07  -0.15     0.03  -0.07  -0.19     0.23  -0.20  -0.01
    11   1    -0.23  -0.29  -0.18    -0.21   0.21  -0.30     0.06  -0.06   0.16
    12   1    -0.03  -0.12  -0.12    -0.14   0.11  -0.15     0.01  -0.10   0.08
    13   1     0.17   0.03   0.02    -0.35   0.21  -0.20     0.08   0.02   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    802.2192               845.8360               874.2559
 Red. masses --      2.8268                 1.3684                 1.2854
 Frc consts  --      1.0718                 0.5768                 0.5789
 IR Inten    --      9.7925                80.6785                78.9541
 RamAct Fr= 1--      9.2252                 2.3104                 0.9522
  Dep-P Fr= 1--      0.0278                 0.3902                 0.2948
  Dep-U Fr= 1--      0.0540                 0.5613                 0.4554
 Alpha2 Fr= 1--      0.1921                 0.0177                 0.0099
 Beta2  Fr= 1--      0.0831                 0.2161                 0.0723
 AlphaG Fr= 1--     -0.0958                 0.0804                -0.0549
 Gamma2 Fr= 1--      0.2322                -0.2445                 0.2353
 Delta2 Fr= 1--      0.2094                -0.4446                 0.4195
 Raman1 Fr= 1--      36.901                  9.241                  3.809
 ROA1   Fr= 1--      28.991                -37.699                 36.010
 CID1   Fr= 1--       0.786                 -4.079                  9.454
 Raman2 Fr= 1--       0.997                  2.594                  0.867
 ROA2   Fr= 1--       3.898                 -2.311                  2.290
 CID2   Fr= 1--       3.910                 -0.891                  2.641
 Raman3 Fr= 1--       1.994                  5.188                  1.734
 ROA3   Fr= 1--      28.991                -37.699                 36.010
 CID3   Fr= 1--      14.542                 -7.267                 20.762
 RC180  Fr= 1--      -0.892                  0.123                 -0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.06  -0.02     0.02  -0.06   0.00    -0.02   0.06   0.02
     2   6     0.11  -0.03   0.12    -0.01  -0.05   0.07     0.04   0.02  -0.05
     3   6    -0.16  -0.02  -0.09    -0.01  -0.02  -0.04    -0.01   0.00   0.00
     4   8    -0.03  -0.13   0.08    -0.00  -0.00   0.03    -0.01   0.00   0.01
     5   7     0.06  -0.01   0.05    -0.00   0.09  -0.08     0.02  -0.10   0.01
     6   8    -0.03   0.18  -0.08    -0.00   0.02  -0.04     0.01  -0.02  -0.03
     7   1     0.01   0.05   0.15    -0.02   0.13   0.13     0.08  -0.08  -0.08
     8   1     0.11  -0.28  -0.35     0.07  -0.04  -0.17    -0.05   0.01   0.12
     9   1    -0.16   0.12   0.04    -0.10   0.21   0.09     0.04  -0.11  -0.04
    10   1    -0.07   0.01  -0.10     0.08  -0.11  -0.21    -0.09   0.12   0.19
    11   1    -0.03   0.37  -0.29     0.13  -0.23   0.36    -0.00   0.22  -0.11
    12   1    -0.14   0.44  -0.24     0.11  -0.23   0.14    -0.28   0.20  -0.18
    13   1     0.21  -0.16  -0.04    -0.15   0.35   0.59    -0.14   0.34   0.72
                     13                     14                     15
                      A                      A                      A
 Frequencies --    941.4244              1015.9197              1060.1932
 Red. masses --      1.8242                 1.5005                 1.6996
 Frc consts  --      0.9526                 0.9124                 1.1256
 IR Inten    --     37.4900                 1.0380                33.3234
 RamAct Fr= 1--      3.3329                 2.5391                 4.2204
  Dep-P Fr= 1--      0.3078                 0.7393                 0.2258
  Dep-U Fr= 1--      0.4707                 0.8501                 0.3685
 Alpha2 Fr= 1--      0.0334                 0.0005                 0.0535
 Beta2  Fr= 1--      0.2615                 0.3598                 0.2592
 AlphaG Fr= 1--      0.0276                 0.0021                -0.0473
 Gamma2 Fr= 1--      0.5200                -0.9691                 0.0741
 Delta2 Fr= 1--      0.3342                -0.1398                -0.8351
 Raman1 Fr= 1--      13.332                 10.157                 16.882
 ROA1   Fr= 1--      60.611                -97.512                -19.612
 CID1   Fr= 1--       4.546                 -9.601                 -1.162
 Raman2 Fr= 1--       3.138                  4.317                  3.110
 ROA2   Fr= 1--       9.806                -22.141                  8.458
 CID2   Fr= 1--       3.125                 -5.129                  2.719
 Raman3 Fr= 1--       6.275                  8.634                  6.220
 ROA3   Fr= 1--      60.611                -97.512                -19.612
 CID3   Fr= 1--       9.659                -11.294                 -3.153
 RC180  Fr= 1--      -0.059                  0.700                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.12  -0.07    -0.11  -0.00   0.10     0.09  -0.04   0.05
     2   6    -0.15   0.03   0.04     0.05  -0.10  -0.08    -0.02   0.11  -0.10
     3   6     0.03   0.02  -0.02    -0.01   0.01   0.02    -0.05   0.08   0.05
     4   8     0.02   0.04  -0.01    -0.00  -0.01  -0.00     0.01   0.01  -0.02
     5   7     0.08   0.06   0.05     0.06   0.02  -0.02    -0.01  -0.08   0.02
     6   8     0.02  -0.07   0.04    -0.01   0.01  -0.01     0.02  -0.07   0.03
     7   1    -0.32   0.03   0.05     0.10   0.08  -0.03    -0.34   0.48   0.05
     8   1     0.01   0.19   0.06    -0.05   0.36   0.11     0.18  -0.26  -0.45
     9   1     0.11   0.03  -0.03    -0.02   0.36   0.21    -0.27   0.26   0.14
    10   1     0.26  -0.31  -0.29     0.20  -0.21  -0.27    -0.13   0.07  -0.17
    11   1    -0.02   0.19  -0.23     0.10   0.55  -0.07    -0.01   0.10  -0.01
    12   1    -0.06   0.56  -0.28    -0.23  -0.25   0.15    -0.15  -0.17   0.07
    13   1    -0.04   0.04   0.16     0.03  -0.05  -0.08     0.04  -0.08   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1131.6660              1206.6474              1272.5746
 Red. masses --      2.4284                 2.4347                 1.4646
 Frc consts  --      1.8324                 2.0886                 1.3974
 IR Inten    --     11.8124                15.7688                 3.0975
 RamAct Fr= 1--      2.0897                 7.6509                 3.0128
  Dep-P Fr= 1--      0.7152                 0.7124                 0.2574
  Dep-U Fr= 1--      0.8339                 0.8320                 0.4094
 Alpha2 Fr= 1--      0.0013                 0.0050                 0.0350
 Beta2  Fr= 1--      0.2905                 1.0610                 0.2056
 AlphaG Fr= 1--      0.0047                -0.0017                 0.0335
 Gamma2 Fr= 1--      0.3246                -0.6879                -0.7077
 Delta2 Fr= 1--      0.7212                 0.1125                 0.5961
 Raman1 Fr= 1--       8.359                 30.604                 12.051
 ROA1   Fr= 1--      54.240                -62.436                -48.867
 CID1   Fr= 1--       6.489                 -2.040                 -4.055
 Raman2 Fr= 1--       3.485                 12.732                  2.467
 ROA2   Fr= 1--       2.021                -17.409                -21.754
 CID2   Fr= 1--       0.580                 -1.367                 -8.818
 Raman3 Fr= 1--       6.971                 25.463                  4.934
 ROA3   Fr= 1--      54.240                -62.436                -48.867
 CID3   Fr= 1--       7.781                 -2.452                 -9.905
 RC180  Fr= 1--       0.668                  0.664                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.09  -0.07     0.02  -0.02   0.08    -0.03  -0.04   0.07
     2   6     0.07   0.25   0.05    -0.06  -0.00  -0.14     0.07   0.03  -0.07
     3   6     0.06  -0.10  -0.01     0.16  -0.14   0.15    -0.07   0.06  -0.06
     4   8    -0.04  -0.02   0.02    -0.06  -0.04   0.01     0.03   0.02  -0.00
     5   7    -0.06  -0.11   0.03    -0.01   0.03   0.05    -0.05   0.01   0.05
     6   8     0.01   0.06  -0.02     0.02   0.11  -0.06    -0.01  -0.04   0.02
     7   1     0.36   0.51   0.12    -0.06  -0.16  -0.19     0.48  -0.25  -0.20
     8   1    -0.05   0.29   0.16     0.08  -0.03  -0.17     0.05   0.12  -0.11
     9   1     0.25  -0.00  -0.05    -0.23   0.26   0.18    -0.02   0.23   0.16
    10   1     0.26  -0.29  -0.21    -0.09   0.03  -0.13     0.06  -0.11  -0.19
    11   1    -0.06  -0.09   0.04    -0.10  -0.26  -0.10    -0.10  -0.46   0.05
    12   1    -0.10  -0.20   0.08     0.08   0.35  -0.17     0.17   0.32  -0.15
    13   1    -0.07   0.13  -0.09    -0.28   0.46  -0.25     0.14  -0.22   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1336.3115              1361.4278              1407.1613
 Red. masses --      1.5282                 1.3474                 1.3486
 Frc consts  --      1.6079                 1.4714                 1.5734
 IR Inten    --     10.3129                33.3786               150.5979
 RamAct Fr= 1--      2.0413                 4.1571                 2.6942
  Dep-P Fr= 1--      0.7450                 0.4235                 0.2379
  Dep-U Fr= 1--      0.8539                 0.5950                 0.3843
 Alpha2 Fr= 1--      0.0002                 0.0283                 0.0330
 Beta2  Fr= 1--      0.2905                 0.4123                 0.1726
 AlphaG Fr= 1--     -0.0017                -0.0494                 0.0066
 Gamma2 Fr= 1--      0.8279                -0.0267                -0.2514
 Delta2 Fr= 1--     -0.0258                -1.0159                 0.0497
 Raman1 Fr= 1--       8.165                 16.629                 10.777
 ROA1   Fr= 1--      78.656                -35.070                -22.543
 CID1   Fr= 1--       9.633                 -2.109                 -2.092
 Raman2 Fr= 1--       3.486                  4.947                  2.071
 ROA2   Fr= 1--      20.077                  7.487                 -6.431
 CID2   Fr= 1--       5.759                  1.513                 -3.105
 Raman3 Fr= 1--       6.972                  9.894                  4.142
 ROA3   Fr= 1--      78.656                -35.070                -22.543
 CID3   Fr= 1--      11.282                 -3.544                 -5.443
 RC180  Fr= 1--       0.708                  0.190                 -0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.02    -0.01   0.03  -0.03    -0.05   0.08   0.06
     2   6    -0.19   0.00   0.03    -0.00  -0.13  -0.06     0.02  -0.04  -0.01
     3   6     0.00  -0.02  -0.04     0.01  -0.01   0.02    -0.05   0.06  -0.04
     4   8     0.02   0.02   0.00     0.01   0.02  -0.01    -0.01  -0.03   0.01
     5   7     0.05  -0.01  -0.00    -0.00   0.01   0.05    -0.01  -0.00   0.01
     6   8     0.00  -0.00   0.01    -0.03   0.01  -0.01     0.06  -0.03   0.03
     7   1     0.87   0.02  -0.03     0.18   0.82   0.24     0.07   0.14   0.05
     8   1     0.05  -0.14  -0.07    -0.07   0.01   0.16    -0.02  -0.31  -0.26
     9   1    -0.18  -0.04   0.01    -0.02  -0.04  -0.05     0.18  -0.38  -0.11
    10   1    -0.12   0.09  -0.06    -0.01   0.05   0.11     0.32  -0.17  -0.27
    11   1     0.04   0.21  -0.07    -0.05  -0.21   0.00    -0.03  -0.04  -0.02
    12   1    -0.15  -0.12   0.07     0.07   0.25  -0.10     0.02   0.08  -0.04
    13   1    -0.04   0.06  -0.06     0.10  -0.14   0.10    -0.30   0.44  -0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.3936              1498.0989              1501.6765
 Red. masses --      1.4122                 1.0424                 1.0582
 Frc consts  --      1.6645                 1.3783                 1.4059
 IR Inten    --    216.1815                 6.6874                 8.1589
 RamAct Fr= 1--      2.6266                 4.7030                 3.7350
  Dep-P Fr= 1--      0.1299                 0.7500                 0.7441
  Dep-U Fr= 1--      0.2299                 0.8571                 0.8533
 Alpha2 Fr= 1--      0.0427                 0.0000                 0.0004
 Beta2  Fr= 1--      0.1006                 0.6719                 0.5312
 AlphaG Fr= 1--      0.0146                 0.0001                 0.0027
 Gamma2 Fr= 1--      0.1604                -0.9847                -0.0207
 Delta2 Fr= 1--     -0.1550                 0.1575                -0.2780
 Raman1 Fr= 1--      10.507                 18.812                 14.940
 ROA1   Fr= 1--      10.437                -89.494                -10.887
 CID1   Fr= 1--       0.993                 -4.757                 -0.729
 Raman2 Fr= 1--       1.208                  8.062                  6.374
 ROA2   Fr= 1--       5.090                -24.893                  1.726
 CID2   Fr= 1--       4.215                 -3.088                  0.271
 Raman3 Fr= 1--       2.415                 16.125                 12.748
 ROA3   Fr= 1--      10.437                -89.494                -10.887
 CID3   Fr= 1--       4.322                 -5.550                 -0.854
 RC180  Fr= 1--      -0.540                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06    -0.01  -0.03   0.04    -0.05  -0.01  -0.01
     2   6     0.03  -0.03   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.00
     3   6    -0.06   0.08  -0.06     0.01  -0.00   0.00     0.01  -0.01   0.01
     4   8    -0.01  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
     5   7    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00   0.00
     6   8     0.07  -0.04   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1     0.06   0.08   0.04    -0.01   0.06   0.04     0.06   0.01  -0.01
     8   1     0.00   0.30   0.26     0.20   0.53  -0.38     0.05  -0.17  -0.41
     9   1    -0.09   0.39   0.10     0.38  -0.28  -0.07     0.57   0.35   0.09
    10   1    -0.27   0.15   0.34    -0.46   0.23  -0.19     0.16  -0.08   0.54
    11   1    -0.01   0.00   0.02     0.01   0.02   0.02     0.00   0.03  -0.02
    12   1     0.06   0.06  -0.03     0.03   0.01  -0.01    -0.01  -0.01   0.01
    13   1    -0.31   0.46  -0.32    -0.00   0.00   0.01     0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.3199              1842.0558              3035.7013
 Red. masses --      1.0924                 9.5048                 1.0458
 Frc consts  --      1.7721                19.0020                 5.6782
 IR Inten    --     38.7651               320.7162                10.8740
 RamAct Fr= 1--      3.9099                14.6448               231.9108
  Dep-P Fr= 1--      0.6104                 0.3396                 0.0265
  Dep-U Fr= 1--      0.7581                 0.5070                 0.0516
 Alpha2 Fr= 1--      0.0100                 0.1329                 4.8431
 Beta2  Fr= 1--      0.4940                 1.2375                 1.9961
 AlphaG Fr= 1--     -0.0203                -0.0089                 0.5129
 Gamma2 Fr= 1--     -0.7375                 0.0047                 1.7552
 Delta2 Fr= 1--     -0.2869                -0.2655                 0.9199
 Raman1 Fr= 1--      15.640                 58.579                927.643
 ROA1   Fr= 1--     -79.983                 -8.040                197.940
 CID1   Fr= 1--      -5.114                 -0.137                  0.213
 Raman2 Fr= 1--       5.928                 14.850                 23.953
 ROA2   Fr= 1--     -15.406                  2.238                 34.767
 CID2   Fr= 1--      -2.599                  0.151                  1.451
 Raman3 Fr= 1--      11.856                 29.700                 47.906
 ROA3   Fr= 1--     -79.983                 -8.040                197.940
 CID3   Fr= 1--      -6.746                 -0.271                  4.132
 RC180  Fr= 1--       0.516                  0.014                 -0.897
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.04
     2   6    -0.02   0.01  -0.02    -0.04  -0.02   0.00     0.00  -0.01   0.03
     3   6     0.00  -0.01   0.01     0.50   0.48  -0.16    -0.00  -0.00   0.00
     4   8     0.00   0.00  -0.00    -0.31  -0.30   0.10     0.00   0.00  -0.00
     5   7    -0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.06  -0.03   0.00     0.00  -0.00   0.00
     7   1     0.04   0.02  -0.02     0.16   0.03  -0.02    -0.02   0.13  -0.39
     8   1    -0.01  -0.04  -0.00    -0.00  -0.07  -0.05    -0.52   0.09  -0.15
     9   1    -0.02   0.00   0.01     0.01  -0.00   0.01     0.03  -0.21   0.61
    10   1     0.03  -0.02  -0.01     0.06  -0.02  -0.00     0.17   0.28  -0.03
    11   1     0.19   0.52   0.44    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    12   1     0.66   0.19  -0.15     0.01   0.01  -0.00    -0.00   0.00   0.01
    13   1     0.01  -0.02   0.00     0.30  -0.34   0.24    -0.00   0.00  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3040.1381              3097.6657              3133.8202
 Red. masses --      1.0751                 1.1028                 1.0995
 Frc consts  --      5.8546                 6.2347                 6.3622
 IR Inten    --     22.9439                23.5526                 6.6228
 RamAct Fr= 1--     50.1235                60.2917                56.0384
  Dep-P Fr= 1--      0.7165                 0.6451                 0.6013
  Dep-U Fr= 1--      0.8348                 0.7843                 0.7510
 Alpha2 Fr= 1--      0.0290                 0.1139                 0.1542
 Beta2  Fr= 1--      6.9743                 7.8810                 7.0144
 AlphaG Fr= 1--      0.0109                 0.2194                -0.1064
 Gamma2 Fr= 1--      3.9931                 1.2833                -2.6433
 Delta2 Fr= 1--      0.6103                 2.6229                -2.3658
 Raman1 Fr= 1--     200.494                241.167                224.154
 ROA1   Fr= 1--     402.868                207.127               -329.464
 CID1   Fr= 1--       2.009                  0.859                 -1.470
 Raman2 Fr= 1--      83.691                 94.572                 84.172
 ROA2   Fr= 1--      90.952                  9.815                -44.513
 CID2   Fr= 1--       1.087                  0.104                 -0.529
 Raman3 Fr= 1--     167.382                189.144                168.345
 ROA3   Fr= 1--     402.868                207.127               -329.464
 CID3   Fr= 1--       2.407                  1.095                 -1.957
 RC180  Fr= 1--       0.670                  0.569                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00    -0.06   0.03  -0.07    -0.06  -0.07   0.02
     2   6    -0.00   0.02  -0.07    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.05  -0.28   0.84     0.01  -0.05   0.15    -0.00   0.01  -0.04
     8   1    -0.36   0.06  -0.10     0.67  -0.11   0.18     0.23  -0.05   0.07
     9   1     0.01  -0.05   0.17     0.01  -0.22   0.65    -0.02   0.08  -0.26
    10   1     0.11   0.17  -0.02    -0.00   0.02  -0.02     0.47   0.79  -0.06
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3453.6614              3510.3946              3587.2423
 Red. masses --      1.0641                 1.0494                 1.0949
 Frc consts  --      7.4779                 7.6193                 8.3011
 IR Inten    --    246.2172                 0.7138                 9.6433
 RamAct Fr= 1--     91.0259               148.6434                65.6760
  Dep-P Fr= 1--      0.0942                 0.0956                 0.7303
  Dep-U Fr= 1--      0.1722                 0.1746                 0.8441
 Alpha2 Fr= 1--      1.6164                 2.6303                 0.0222
 Beta2  Fr= 1--      2.6128                 4.3254                 9.2398
 AlphaG Fr= 1--     -0.0821                -0.5204                -0.1412
 Gamma2 Fr= 1--     -0.6276                 1.9988               -11.0910
 Delta2 Fr= 1--     -1.7912                 3.4556                -0.4265
 Raman1 Fr= 1--     364.104                594.574                262.704
 ROA1   Fr= 1--    -117.568                302.462              -1078.381
 CID1   Fr= 1--      -0.323                  0.509                 -4.105
 Raman2 Fr= 1--      31.354                 51.905                110.878
 ROA2   Fr= 1--      -0.733                 20.327               -262.771
 CID2   Fr= 1--      -0.023                  0.392                 -2.370
 Raman3 Fr= 1--      62.707                103.809                221.756
 ROA3   Fr= 1--    -117.568                302.462              -1078.381
 CID3   Fr= 1--      -1.875                  2.914                 -4.863
 RC180  Fr= 1--      -0.656                 -0.651                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.01  -0.00  -0.00    -0.04  -0.03  -0.03    -0.05   0.03   0.06
     6   8    -0.05  -0.03   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   1    -0.00  -0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1     0.09  -0.01  -0.03     0.61  -0.07  -0.24     0.70  -0.08  -0.24
    12   1    -0.00   0.04   0.07    -0.02   0.40   0.62    -0.01  -0.35  -0.56
    13   1     0.81   0.56  -0.11    -0.10  -0.07   0.01    -0.02  -0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   361.21667 561.13343 778.07344
           X            0.99918  -0.04047  -0.00213
           Y            0.04053   0.99832   0.04146
           Z            0.00045  -0.04151   0.99914
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23978     0.15436     0.11132
 Rotational constants (GHZ):           4.99628     3.21624     2.31950
 Zero-point vibrational energy     284278.0 (Joules/Mol)
                                   67.94406 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.24   345.27   368.38   406.81   487.80
          (Kelvin)            565.05   766.03   919.39  1071.54  1154.21
                             1216.97  1257.86  1354.50  1461.68  1525.38
                             1628.21  1736.10  1830.95  1922.65  1958.79
                             2024.59  2035.00  2155.43  2160.58  2387.39
                             2650.31  4367.70  4374.08  4456.85  4508.87
                             4969.05  5050.67  5161.24
 
 Zero-point correction=                           0.108276 (Hartree/Particle)
 Thermal correction to Energy=                    0.114858
 Thermal correction to Enthalpy=                  0.115802
 Thermal correction to Gibbs Free Energy=         0.078008
 Sum of electronic and zero-point Energies=           -323.796661
 Sum of electronic and thermal Energies=              -323.790078
 Sum of electronic and thermal Enthalpies=            -323.789134
 Sum of electronic and thermal Free Energies=         -323.826929
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.074             23.295             79.545
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.558
 Vibrational             70.297             17.333             13.615
 Vibration     1          0.598              1.968              4.124
 Vibration     2          0.657              1.779              1.803
 Vibration     3          0.666              1.753              1.689
 Vibration     4          0.682              1.706              1.517
 Vibration     5          0.719              1.597              1.217
 Vibration     6          0.760              1.486              0.990
 Vibration     7          0.887              1.178              0.582
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.131520D-35        -35.881009        -82.619077
 Total V=0       0.836255D+14         13.922339         32.057369
 Vib (Bot)       0.280111D-48        -48.552670       -111.796654
 Vib (Bot)    1  0.290185D+01          0.462675          1.065348
 Vib (Bot)    2  0.817096D+00         -0.087727         -0.201998
 Vib (Bot)    3  0.760083D+00         -0.119139         -0.274328
 Vib (Bot)    4  0.678993D+00         -0.168134         -0.387144
 Vib (Bot)    5  0.548017D+00         -0.261206         -0.601450
 Vib (Bot)    6  0.456240D+00         -0.340806         -0.784735
 Vib (Bot)    7  0.299708D+00         -0.523302         -1.204948
 Vib (V=0)       0.178106D+02          1.250678          2.879792
 Vib (V=0)    1  0.344461D+01          0.537140          1.236810
 Vib (V=0)    2  0.145794D+01          0.163739          0.377024
 Vib (V=0)    3  0.140979D+01          0.149156          0.343444
 Vib (V=0)    4  0.134323D+01          0.128149          0.295075
 Vib (V=0)    5  0.124184D+01          0.094065          0.216592
 Vib (V=0)    6  0.117687D+01          0.070729          0.162860
 Vib (V=0)    7  0.108294D+01          0.034606          0.079684
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.142159D+06          5.152773         11.864698
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3           3333                                         1      1   11  1111 1  1 1  1 1                                   
     5  5 4           1000                                         8      6   54  4433 2  2 1  0 0 9  888 7   6   5    33 222        
     8  1 5           3943                                         4      5   09  1063 7  0 3  6 1 4  740 4   3   3    93 854     7  
     7  0 4           4806                                         2      9   28  4716 3  7 2  0 6 1  462 5   9   2    39 360     1  
 
     X  X X           XXXX                                         X      X   XX  XXXX X  X X  X X X  XXX X   X   X    XX XXX     X  
          X                                                        X      X       XXX          X   X  XX                  X          
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001164   -0.000000886    0.000001415
      2        6           0.000016490    0.000020053    0.000004374
      3        6          -0.000007848    0.000042400   -0.000024156
      4        8          -0.000004338   -0.000006686   -0.000000567
      5        7           0.000011045   -0.000025000    0.000006469
      6        8          -0.000010862   -0.000025158    0.000015845
      7        1          -0.000005428   -0.000000338    0.000000884
      8        1          -0.000001419   -0.000002172    0.000001096
      9        1          -0.000001571    0.000003068   -0.000002079
     10        1           0.000000703    0.000000149   -0.000002611
     11        1          -0.000004210    0.000003792    0.000000261
     12        1          -0.000001060    0.000001901   -0.000004464
     13        1           0.000007333   -0.000011123    0.000003533
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042400 RMS     0.000011661
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.560449D+00
      2  0.390114D-01  0.528359D+00
      3  0.257305D-01 -0.484977D-01  0.523877D+00
      4 -0.956741D-01  0.181657D-01  0.230134D-01  0.449421D+00
      5  0.367352D-01 -0.117455D+00 -0.422128D-01  0.506987D-02  0.477556D+00
      6  0.362255D-01 -0.383800D-01 -0.117902D+00 -0.258494D-02 -0.518976D-01
      7 -0.197095D-01  0.178730D-01  0.671031D-02 -0.137951D+00  0.547164D-02
      8  0.246513D-01 -0.482219D-02  0.560729D-02  0.278348D-01 -0.726638D-01
      9  0.231860D-01 -0.140194D-02  0.829652D-02 -0.238542D-01 -0.377183D-02
     10  0.521506D-03 -0.381037D-02 -0.189045D-02 -0.271805D-01 -0.308966D-01
     11 -0.739015D-03 -0.305251D-02 -0.217968D-02 -0.150939D-01  0.295821D-02
     12 -0.283159D-02 -0.275400D-03 -0.213304D-03 -0.177216D-02  0.275395D-02
     13  0.499935D-02  0.974924D-02 -0.215037D-02 -0.103127D+00 -0.642390D-01
     14 -0.170145D-01 -0.343644D-01 -0.565609D-03 -0.279652D-01 -0.164781D+00
     15 -0.115233D-01 -0.230453D-01  0.217886D-02  0.167306D-01 -0.521200D-02
     16 -0.107439D-02 -0.381690D-03 -0.218114D-02 -0.108058D-01  0.234136D-01
     17 -0.155777D-03  0.182825D-02  0.114377D-02  0.421169D-02 -0.160925D-01
     18 -0.470625D-02 -0.507752D-03 -0.435883D-02 -0.939478D-02  0.221661D-01
     19  0.100633D-02 -0.305459D-02  0.146393D-01 -0.502546D-01  0.340778D-02
     20 -0.697502D-03  0.674794D-02 -0.246419D-01  0.445224D-02 -0.691881D-01
     21 -0.814681D-03  0.356653D-02 -0.204071D-01 -0.177092D-01  0.747975D-01
     22 -0.281579D+00  0.409734D-01 -0.659513D-01 -0.145814D-01  0.172700D-02
     23  0.401166D-01 -0.539943D-01  0.128690D-01  0.242346D-01 -0.749459D-02
     24 -0.680543D-01  0.124323D-01 -0.663586D-01  0.229069D-01 -0.533432D-02
     25 -0.492184D-01  0.328751D-02 -0.896851D-02 -0.127825D-02 -0.493158D-02
     26  0.236920D-02 -0.747641D-01  0.803155D-01 -0.606825D-04  0.625680D-02
     27 -0.807778D-02  0.785230D-01 -0.279549D+00  0.158661D-02  0.566729D-02
     28 -0.119652D+00 -0.122256D+00  0.101919D-01  0.652159D-02  0.115959D-01
     29 -0.117696D+00 -0.244759D+00  0.164585D-01 -0.106863D-01 -0.189200D-01
     30  0.112882D-01  0.185693D-01 -0.486029D-01 -0.118613D-01 -0.165290D-01
     31  0.277090D-02  0.188198D-02  0.458267D-03 -0.154162D-01  0.493498D-02
     32 -0.170575D-02  0.241419D-02  0.916698D-04 -0.338057D-01  0.656224D-03
     33 -0.115046D-02 -0.187741D-02  0.183167D-02  0.410841D-02  0.391169D-02
     34 -0.111072D-02 -0.387599D-03  0.769839D-03 -0.329065D-03 -0.442098D-02
     35 -0.466462D-02 -0.549700D-02  0.152519D-02  0.381286D-03 -0.184367D-01
     36  0.498649D-03  0.124844D-02  0.244973D-03 -0.646518D-03  0.112314D-01
     37 -0.172818D-02 -0.105210D-02 -0.371777D-03  0.654387D-03  0.121324D-01
     38 -0.210102D-03 -0.641168D-03  0.867469D-04  0.326164D-02 -0.239523D-02
     39  0.229457D-03 -0.353940D-03  0.962391D-03 -0.522844D-03  0.442960D-02
                6             7             8             9            10 
      6  0.572846D+00
      7 -0.194268D-01  0.739504D+00
      8 -0.230330D-02  0.260050D+00  0.717733D+00
      9 -0.960729D-01 -0.410551D-01 -0.208645D+00  0.335275D+00
     10  0.932502D-02 -0.428298D+00 -0.300762D+00  0.919644D-01  0.441275D+00
     11  0.811933D-02 -0.311842D+00 -0.384627D+00  0.104719D+00  0.363061D+00
     12  0.165181D-01  0.971746D-01  0.106351D+00 -0.115222D+00 -0.115269D+00
     13  0.295704D-01 -0.214668D-01 -0.246705D-01 -0.859476D-03 -0.107825D-01
     14  0.204497D-01 -0.821869D-02 -0.108228D-01  0.437226D-03 -0.166040D-02
     15 -0.878021D-01 -0.192594D-02  0.478769D-02 -0.996432D-03  0.136792D-02
     16 -0.222509D-01 -0.149029D+00  0.285125D-01 -0.350012D-01  0.269225D-01
     17  0.204211D-01  0.765286D-01 -0.193140D+00  0.910266D-01 -0.271386D-01
     18  0.793529D-02 -0.612742D-01  0.807043D-01 -0.113095D+00  0.176107D-01
     19 -0.192824D-01 -0.212651D-02  0.967707D-02 -0.337060D-01  0.439914D-03
     20  0.745080D-01  0.304952D-02 -0.218734D-02  0.803205D-02 -0.827161D-03
     21 -0.277109D+00  0.728953D-03  0.495704D-02 -0.934757D-02 -0.249128D-03
     22 -0.278767D-02  0.142636D-02  0.814352D-03  0.324797D-02 -0.407820D-03
     23  0.423867D-02 -0.224273D-02 -0.356699D-02 -0.379835D-02  0.969923D-03
     24  0.373795D-02 -0.896958D-03 -0.345841D-02 -0.341758D-02  0.786540D-03
     25  0.146461D-01  0.135627D-02 -0.117048D-02  0.171035D-02 -0.653554D-03
     26 -0.240707D-01 -0.129055D-02  0.134335D-02 -0.238631D-03 -0.830574D-04
     27 -0.211518D-01 -0.195481D-02  0.121756D-02 -0.794758D-03  0.688124D-03
     28 -0.261241D-02  0.757642D-03  0.182719D-02 -0.756104D-03 -0.547325D-03
     29  0.358232D-02 -0.262340D-02 -0.287859D-02  0.101332D-02  0.457655D-03
     30  0.158670D-02 -0.586394D-03 -0.522573D-03  0.909177D-03 -0.165404D-03
     31 -0.738830D-03  0.109714D-02 -0.239025D-02  0.129542D-02 -0.220295D-02
     32  0.116608D-01  0.836646D-03 -0.637440D-02  0.288192D-02 -0.250647D-02
     33 -0.456551D-02 -0.178495D-02  0.529688D-03 -0.151773D-02 -0.124949D-02
     34 -0.159644D-01  0.412098D-03 -0.321361D-02 -0.350815D-03 -0.921065D-03
     35 -0.290751D-01  0.243167D-05 -0.796591D-03 -0.259547D-03 -0.179899D-03
     36  0.498207D-02 -0.150475D-03 -0.160099D-02  0.272185D-03  0.122847D-03
     37 -0.411863D-02  0.140269D-01 -0.211609D-01  0.141788D-01  0.183521D-02
     38  0.274677D-02 -0.375945D-01 -0.371965D-01  0.100051D-01  0.337616D-02
     39 -0.300279D-02  0.244417D-01  0.123752D-01 -0.428908D-02 -0.304167D-02
               11            12            13            14            15 
     11  0.457067D+00
     12 -0.157169D+00  0.950587D-01
     13 -0.435375D-02  0.767549D-03  0.577479D+00
     14  0.235514D-02 -0.295639D-03  0.635867D-01  0.410176D+00
     15 -0.181746D-02  0.260672D-02 -0.152347D+00  0.204758D+00  0.469734D+00
     16 -0.426883D-01  0.262795D-01 -0.180993D-01  0.269298D-02 -0.637952D-02
     17 -0.774144D-01  0.443804D-01 -0.119441D-01  0.675786D-02 -0.412182D-02
     18  0.411179D-01 -0.375856D-02 -0.122274D-02  0.513389D-03  0.456193D-02
     19  0.371480D-03  0.364106D-02 -0.947111D-03 -0.117487D-01  0.169965D-01
     20  0.305041D-03 -0.153853D-02 -0.514445D-02 -0.204801D-01  0.262623D-01
     21 -0.129726D-02  0.232149D-02  0.148010D-02  0.258115D-02  0.289192D-02
     22  0.196080D-03 -0.377174D-03  0.178209D-02 -0.825651D-03 -0.206970D-03
     23  0.153325D-02  0.597457D-03  0.640189D-03  0.240254D-02  0.176759D-03
     24  0.726363D-03  0.522819D-03  0.981642D-04  0.178309D-02  0.269262D-03
     25  0.598701D-04 -0.401066D-03  0.190513D-03 -0.421136D-03 -0.111760D-02
     26  0.861572D-04  0.523108D-04  0.110900D-03  0.218241D-02  0.718070D-03
     27 -0.138958D-03  0.270958D-03 -0.344934D-03  0.728519D-03  0.199700D-02
     28 -0.323562D-03 -0.126365D-04 -0.730117D-03  0.258874D-02  0.214552D-02
     29  0.227245D-02  0.165925D-03  0.177390D-02 -0.234411D-02 -0.419019D-02
     30  0.547027D-03 -0.451021D-03  0.181930D-02 -0.370472D-02 -0.199069D-02
     31 -0.104788D-02  0.190697D-04 -0.384646D+00  0.291168D-01  0.137962D+00
     32  0.313490D-03 -0.772619D-03  0.474960D-01 -0.534599D-01 -0.408491D-01
     33 -0.103188D-02  0.648598D-03  0.998909D-01 -0.290754D-01 -0.637677D-01
     34  0.387371D-03  0.255584D-03 -0.506859D-01 -0.280652D-01 -0.557394D-02
     35 -0.753917D-04  0.369383D-03 -0.136311D-01 -0.132207D+00 -0.156284D+00
     36  0.359025D-03 -0.309661D-03  0.183224D-01 -0.195113D+00 -0.323069D+00
     37  0.120133D-01 -0.747329D-02  0.603302D-02 -0.206582D-02  0.387171D-02
     38 -0.172187D-02  0.538057D-02  0.625953D-03 -0.541436D-02 -0.118269D-02
     39  0.804580D-02  0.200743D-02  0.497556D-02 -0.249692D-02 -0.661445D-02
               16            17            18            19            20 
     16  0.483601D+00
     17  0.122018D+00  0.404096D+00
     18  0.392701D-01 -0.168951D+00  0.135054D+00
     19 -0.550254D-02  0.398707D-02  0.184888D-03  0.572173D-01
     20  0.176248D-02  0.849562D-03 -0.566179D-03 -0.244680D-02  0.856019D-01
     21 -0.159201D-02 -0.183991D-03  0.263743D-03  0.154302D-01 -0.819194D-01
     22 -0.255078D-03  0.744234D-03 -0.726431D-03  0.517176D-03 -0.388113D-03
     23  0.694227D-03 -0.365163D-03  0.136476D-02 -0.104295D-02  0.951075D-03
     24  0.951225D-03 -0.672525D-03  0.172250D-02 -0.782390D-04  0.103491D-02
     25 -0.861133D-04  0.880618D-04 -0.539976D-03 -0.328341D-03  0.232693D-02
     26 -0.197080D-03 -0.238256D-03  0.138920D-03  0.198246D-02 -0.305857D-02
     27  0.489219D-03 -0.882175D-03  0.955924D-03  0.193198D-02 -0.330931D-02
     28 -0.195970D-03 -0.392072D-03  0.557719D-03  0.499259D-03 -0.434125D-03
     29  0.639322D-03  0.826376D-03 -0.494141D-03 -0.105004D-03  0.824768D-03
     30  0.153742D-03  0.389671D-03 -0.879678D-04 -0.596102D-03  0.521071D-03
     31 -0.393622D-03 -0.331712D-04 -0.629271D-03  0.123687D-03  0.801240D-03
     32  0.165229D-02  0.224819D-02  0.447821D-03 -0.124682D-02 -0.193085D-02
     33 -0.341481D-02 -0.221225D-02 -0.768484D-03  0.120746D-02  0.115411D-02
     34 -0.183105D-02  0.131875D-02  0.787720D-03  0.596208D-03 -0.660169D-03
     35  0.150498D-02 -0.298556D-03 -0.758967D-03  0.146664D-02  0.221104D-02
     36 -0.836890D-03  0.102435D-02  0.593428D-03 -0.251422D-05  0.692359D-03
     37 -0.323251D+00 -0.169233D+00  0.200824D-01 -0.124080D-02 -0.179408D-02
     38 -0.139623D+00 -0.129057D+00  0.248246D-01 -0.124766D-02 -0.646333D-03
     39  0.451270D-02  0.186375D-01 -0.290181D-01 -0.366068D-03 -0.229454D-03
               21            22            23            24            25 
     21  0.298577D+00
     22  0.323976D-03  0.306885D+00
     23  0.487868D-03 -0.471483D-01  0.564758D-01
     24  0.124411D-02  0.713182D-01 -0.103569D-01  0.691509D-01
     25  0.181616D-02  0.511726D-03  0.999566D-02 -0.295394D-01  0.487674D-01
     26 -0.310500D-02 -0.247645D-03 -0.245514D-02  0.397720D-02 -0.518837D-02
     27 -0.814158D-03 -0.338819D-03  0.230840D-02 -0.678292D-02  0.643921D-02
     28 -0.291946D-03 -0.144373D-01 -0.259655D-01  0.271808D-02  0.662800D-03
     29 -0.174333D-03  0.326417D-02  0.684052D-02 -0.691045D-03 -0.411826D-02
     30  0.374573D-03 -0.429984D-02 -0.811186D-02 -0.235810D-03  0.163256D-01
     31 -0.143132D-03  0.305628D-03 -0.705004D-03 -0.673338D-03 -0.179508D-04
     32  0.313607D-03  0.105530D-02 -0.871977D-03  0.352570D-03 -0.659915D-04
     33 -0.142553D-03 -0.208353D-03  0.284752D-03  0.522596D-03 -0.652619D-03
     34  0.723583D-03  0.235537D-03 -0.173066D-03  0.106727D-03 -0.183030D-03
     35  0.413390D-03  0.620857D-04  0.272877D-03  0.134698D-03 -0.153149D-03
     36  0.196827D-02  0.347080D-04 -0.167525D-04 -0.651958D-04  0.184370D-04
     37  0.297061D-03 -0.402220D-03  0.626320D-03  0.356395D-03  0.276911D-03
     38 -0.437111D-03 -0.226916D-03  0.272083D-03  0.721012D-04  0.290942D-03
     39  0.178703D-03 -0.283433D-04 -0.437772D-04 -0.310036D-03  0.263345D-03
               26            27            28            29            30 
     26  0.779937D-01
     27 -0.842900D-01  0.307186D+00
     28  0.272286D-02 -0.839832D-05  0.126425D+00
     29 -0.748942D-02  0.641211D-03  0.129389D+00  0.266566D+00
     30  0.264117D-01 -0.842803D-03 -0.121140D-01 -0.164601D-01  0.498584D-01
     31 -0.526466D-03 -0.566611D-03 -0.595904D-04  0.644193D-03  0.307467D-03
     32  0.558889D-05 -0.383319D-03  0.436254D-03  0.212235D-03  0.234325D-03
     33  0.444882D-04 -0.587866D-03  0.116377D-03 -0.184020D-03 -0.934590D-03
     34  0.143295D-03 -0.746069D-04  0.527307D-03 -0.289275D-03 -0.669776D-04
     35  0.289146D-03  0.119197D-03  0.869606D-03 -0.120458D-02 -0.124901D-02
     36  0.171845D-03  0.436044D-03  0.556634D-04  0.480510D-03  0.626395D-03
     37  0.265136D-03  0.230818D-03  0.228469D-03 -0.649386D-03 -0.204225D-03
     38 -0.151714D-03 -0.201427D-03 -0.582308D-04  0.540185D-04 -0.957416D-04
     39 -0.125690D-03 -0.323328D-03  0.102866D-04 -0.147925D-03 -0.209440D-03
               31            32            33            34            35 
     31  0.398035D+00
     32 -0.323111D-01  0.594308D-01
     33 -0.133488D+00  0.321541D-01  0.784434D-01
     34  0.102040D-02  0.214025D-01  0.341339D-01  0.510040D-01
     35  0.186977D-03 -0.219862D-02 -0.359156D-02  0.156565D-01  0.156629D+00
     36 -0.527307D-02 -0.397914D-02 -0.121445D-01 -0.121369D-01  0.187057D+00
     37 -0.616471D-03 -0.123723D-02  0.249213D-02  0.126526D-02 -0.150174D-02
     38 -0.552340D-03 -0.445005D-03 -0.106378D-03 -0.169849D-02  0.131258D-02
     39  0.147066D-02 -0.215268D-02  0.298257D-02 -0.260963D-02  0.160002D-02
               36            37            38            39 
     36  0.328761D+00
     37 -0.633851D-05  0.302918D+00
     38 -0.155470D-02  0.173657D+00  0.176031D+00
     39 -0.229640D-02 -0.293351D-01 -0.395378D-01  0.399326D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.622342D+02  0.224954D+01 -0.946712D-01
      2   0.224954D+01  0.598362D+02 -0.253928D+01
      3  -0.946712D-01 -0.253928D+01  0.487220D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.335012D+01 -0.219809D+01 -0.682921D+01
      2   0.169536D+00 -0.648944D+01 -0.177596D+02
      3  -0.157126D+01  0.119860D+02  0.285570D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.404972D+02  0.309639D+01 -0.375653D+01
      2   0.203559D+02  0.772386D+01  0.391677D+01
      3   0.201412D+02 -0.108202D+02 -0.160237D+00
      4   0.206847D+02 -0.284973D+02 -0.190566D+02
      5  -0.204918D+01 -0.188445D+02 -0.350805D+02
      6  -0.122133D+02  0.417561D+01  0.746833D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.697093D+01 -0.245876D+01  0.152546D+01 -0.750130D+00 -0.341221D+01
      2  -0.245876D+01 -0.366267D+01 -0.101336D+01 -0.341221D+01 -0.283397D+01
      3   0.152546D+01 -0.101336D+01 -0.538541D+00 -0.119650D+01  0.100702D+01
                 6             7             8             9            10 
      1  -0.119650D+01  0.366834D+01 -0.149252D+01 -0.329305D+00 -0.428298D+01
      2   0.100702D+01 -0.149252D+01  0.181201D+01  0.219844D+01  0.681365D+00
      3   0.285642D+01 -0.329305D+00  0.219844D+01 -0.575292D+01 -0.926837D+00
                11            12            13            14            15 
      1   0.681365D+00 -0.926837D+00 -0.144541D+00  0.289927D+01  0.168501D+01
      2   0.291851D+01  0.757409D+00  0.289927D+01  0.113596D+01  0.130820D+00
      3   0.757409D+00  0.526846D+00  0.168501D+01  0.130820D+00 -0.303959D+01
                16            17            18            19            20 
      1  -0.301849D+01  0.893559D+00  0.220893D+00  0.122911D+01 -0.213182D+01
      2   0.893559D+00 -0.352726D+00 -0.391506D+01 -0.213182D+01 -0.249923D+01
      3   0.220893D+00 -0.391506D+01  0.592285D+01  0.186350D+01  0.107613D+01
                21            22            23            24            25 
      1   0.186350D+01 -0.491789D+01 -0.367697D+01  0.113741D+01  0.331830D+01
      2   0.107613D+01 -0.367697D+01 -0.151007D+01 -0.290392D+00  0.156744D+01
      3  -0.147521D+00  0.113741D+01 -0.290392D+00 -0.745112D-01 -0.325657D+00
                26            27            28            29            30 
      1   0.156744D+01 -0.325657D+00  0.876612D+01  0.405370D+01 -0.216020D+01
      2  -0.358227D+00  0.751729D+00  0.405370D+01  0.359675D+01 -0.964186D+00
      3   0.751729D+00 -0.762316D+00 -0.216020D+01 -0.964186D+00  0.181069D+01
                31            32            33            34            35 
      1   0.494823D+01  0.378912D+01 -0.699511D+00 -0.210725D+01 -0.542776D+00
      2   0.378912D+01  0.694529D+01 -0.107928D+01 -0.542776D+00 -0.795040D+00
      3  -0.699511D+00 -0.107928D+01  0.189803D+01  0.291926D+01  0.208487D+01
                36            37            38            39            40 
      1   0.291926D+01  0.634238D+01 -0.804222D-01 -0.780580D+00 -0.599890D+00
      2   0.208487D+01 -0.804222D-01 -0.985310D+00  0.586596D+00 -0.112739D+01
      3  -0.227659D+01 -0.780580D+00  0.586596D+00 -0.228168D+00  0.244508D+00
                41            42            43            44            45 
      1  -0.112739D+01  0.244508D+00 -0.115071D+01  0.844027D+00 -0.127602D+00
      2  -0.268280D+01  0.127002D+01  0.844027D+00  0.328313D+01  0.267831D+01
      3   0.127002D+01  0.245278D+01 -0.127602D+00  0.267831D+01  0.235567D+01
                46            47            48            49            50 
      1   0.661872D+01 -0.747482D+00  0.188157D+01  0.276965D+01  0.324324D+01
      2  -0.747482D+00  0.333111D+01 -0.107100D+01  0.324324D+01 -0.342798D+01
      3   0.188157D+01 -0.107100D+01  0.121546D+01 -0.170589D+00  0.794402D+00
                51            52            53            54            55 
      1  -0.170589D+00 -0.187164D-01 -0.121991D+01  0.107782D+01  0.536090D-01
      2   0.794402D+00 -0.121991D+01  0.908754D+00 -0.184100D+01  0.342333D+00
      3  -0.607445D+00  0.107782D+01 -0.184100D+01  0.262764D+01 -0.982343D+00
                56            57            58            59            60 
      1   0.342333D+00 -0.982343D+00  0.632899D+00 -0.510617D+00 -0.163903D+00
      2  -0.561144D+00 -0.136779D+00 -0.510617D+00  0.187962D+01 -0.164227D+01
      3  -0.136779D+00 -0.437913D+00 -0.163903D+00 -0.164227D+01  0.234771D+01
                61            62            63            64            65 
      1  -0.114961D+01 -0.200408D+00 -0.230054D+00 -0.969226D+01  0.278982D+01
      2  -0.200408D+00 -0.239434D+01  0.241770D+01  0.278982D+01 -0.200080D+01
      3  -0.230054D+00  0.241770D+01 -0.843271D+01 -0.621233D+00  0.178738D-01
                66            67            68            69            70 
      1  -0.621233D+00  0.120472D+01 -0.128943D+01  0.264762D+00 -0.228894D+01
      2   0.178738D-01 -0.128943D+01  0.155793D+01 -0.289551D+00  0.619948D+00
      3  -0.134246D+01  0.264762D+00 -0.289551D+00  0.683987D-02 -0.112968D+01
                71            72            73            74            75 
      1   0.619948D+00 -0.112968D+01 -0.751714D+00  0.147551D+00  0.786284D+00
      2  -0.984657D+00  0.109882D+00  0.147551D+00  0.456012D+00  0.190389D+00
      3   0.109882D+00 -0.127667D+00  0.786284D+00  0.190389D+00  0.165550D+00
                76            77            78            79            80 
      1  -0.442596D+00  0.323746D+00  0.423004D+00  0.112735D+01 -0.912744D-01
      2   0.323746D+00 -0.509138D+00  0.772698D+00 -0.912744D-01  0.155233D+01
      3   0.423004D+00  0.772698D+00 -0.208924D+01 -0.772245D+00 -0.183210D+00
                81            82            83            84            85 
      1  -0.772245D+00  0.925314D+00  0.138747D+01 -0.111783D+00  0.178944D+01
      2  -0.183210D+00  0.138747D+01  0.313373D+01  0.495189D+00  0.168699D+01
      3   0.833385D+01 -0.111783D+00  0.495189D+00  0.808584D+00  0.654795D-01
                86            87            88            89            90 
      1   0.168699D+01  0.654795D-01 -0.354544D+00  0.278723D+00  0.298388D+00
      2   0.755689D+01  0.390542D+00  0.278723D+00 -0.409651D+00  0.771866D+00
      3   0.390542D+00  0.906502D+00  0.298388D+00  0.771866D+00  0.521278D+00
                91            92            93            94            95 
      1  -0.102076D+02 -0.192804D+01  0.105802D+01 -0.240552D+00 -0.642735D+00
      2  -0.192804D+01 -0.188746D+01 -0.224992D+00 -0.642735D+00 -0.285493D+00
      3   0.105802D+01 -0.224992D+00 -0.136403D+01 -0.377278D+00  0.162150D+00
                96            97            98            99           100 
      1  -0.377278D+00  0.325119D+01  0.125522D+00 -0.796010D+00 -0.522105D+00
      2   0.162150D+00  0.125522D+00  0.680609D+00 -0.342901D+00 -0.785271D+00
      3  -0.335572D-01 -0.796010D+00 -0.342901D+00  0.601330D+00 -0.531828D+00
               101           102           103           104           105 
      1  -0.785271D+00 -0.531828D+00 -0.120607D+01 -0.100265D+01 -0.853813D+00
      2  -0.188128D+00 -0.381112D+00 -0.100265D+01 -0.399151D+01 -0.233830D+01
      3  -0.381112D+00  0.263194D+00 -0.853813D+00 -0.233830D+01 -0.327024D+01
               106           107           108           109           110 
      1  -0.140615D+01 -0.961320D+00 -0.866049D+00 -0.544953D+01 -0.127043D+01
      2  -0.961320D+00 -0.396424D+01 -0.374767D+01 -0.127043D+01 -0.165137D+01
      3  -0.866049D+00 -0.374767D+01 -0.452841D+01 -0.100002D+01  0.667844D+00
               111           112           113           114           115 
      1  -0.100002D+01 -0.304326D+01 -0.280372D+00 -0.358575D+00  0.129230D+00
      2   0.667844D+00 -0.280372D+00 -0.383472D+01  0.111215D+01  0.178994D+00
      3  -0.731688D+00 -0.358575D+00  0.111215D+01 -0.135370D+01  0.602466D-01
               116           117 
      1   0.178994D+00  0.602466D-01
      2   0.102205D+01 -0.982953D+00
      3  -0.982953D+00  0.151800D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.407241D+01 -0.112859D+01 -0.441418D-02  0.711874D+00 -0.511200D+01
      2  -0.561390D+01  0.375277D+01  0.229375D+01  0.372894D+01  0.429483D+00
      3   0.434303D+01 -0.105991D+02  0.969966D+00 -0.451300D+01 -0.115918D+02
                 6             7             8             9            10 
      1  -0.679945D+01 -0.155301D+00 -0.503586D+00  0.957699D+01  0.497552D+00
      2  -0.339067D+01 -0.231326D+01 -0.254856D+01  0.779280D+01 -0.412062D+01
      3  -0.793633D+00  0.160025D+01 -0.247852D-01  0.355152D+01 -0.236295D+01
                11            12            13            14            15 
      1  -0.116990D+01  0.191412D+01  0.995522D+00 -0.263144D+01  0.284255D+01
      2   0.230232D+01  0.228850D+01 -0.149997D+01  0.172362D+01  0.100145D+01
      3  -0.145406D+01 -0.261481D+01  0.261640D+01  0.529751D+01 -0.250452D+01
                16            17            18            19            20 
      1  -0.101385D+00  0.502657D+01 -0.102802D+01  0.227944D+01  0.562668D-01
      2  -0.581307D+01  0.260950D+01 -0.206132D+01  0.435558D+01 -0.310918D+01
      3  -0.933629D+00 -0.209362D+00 -0.186216D+01 -0.280656D+01  0.600948D+01
                21            22            23            24            25 
      1   0.264314D+01 -0.258013D+01  0.831217D+01  0.344846D+01 -0.349618D+01
      2  -0.649509D+01 -0.680659D+01  0.721831D+00 -0.283270D+01 -0.141054D+02
      3   0.930244D+00  0.860589D+01  0.495801D+01  0.170624D+01  0.508222D+01
                26            27            28            29            30 
      1   0.760729D+01 -0.805943D+01 -0.806356D+00 -0.209972D+01 -0.490525D+01
      2   0.184437D+01 -0.167517D+01  0.125869D+01 -0.104809D+00  0.918140D+01
      3   0.102855D+00  0.110181D+01  0.208899D+01 -0.115046D+02  0.129618D+01
                31            32            33            34            35 
      1   0.526274D+00 -0.338363D+01 -0.633680D+01  0.165364D+01  0.255370D+01
      2   0.428289D+01 -0.137082D+01  0.453116D+01  0.202055D+01  0.142117D+01
      3   0.218688D+01 -0.107284D+02  0.545776D+00 -0.185840D+01  0.790304D+00
                36            37            38            39            40 
      1   0.212872D+01 -0.257771D+01  0.226180D+01 -0.920889D+00  0.208756D+01
      2  -0.197592D+01  0.140360D+01 -0.156476D+01  0.324055D+01 -0.105130D+01
      3  -0.346945D+01 -0.127325D+02 -0.758105D+01  0.269043D+01  0.469884D+01
                41            42            43            44            45 
      1   0.576111D+01 -0.180370D+01  0.145632D+01  0.904740D+01  0.568917D+01
      2  -0.315620D+01 -0.292732D+01 -0.372224D+01 -0.435943D+01 -0.264248D+01
      3  -0.177010D+01  0.140421D+01  0.415510D+01  0.160677D+01  0.377910D+01
                46            47            48            49            50 
      1   0.314248D+01  0.294210D+01  0.339846D+01  0.344209D+01 -0.101302D+01
      2  -0.708031D+01 -0.295994D+01  0.513647D+01 -0.118773D+01 -0.280258D+00
      3  -0.147537D+02 -0.113024D+02 -0.806268D+00 -0.621164D+01 -0.166015D+00
                51            52            53            54            55 
      1  -0.403457D+01  0.249327D+01  0.136851D+01  0.353118D+01  0.245208D+00
      2  -0.835479D+00  0.157817D+01 -0.267456D+01  0.397369D+01  0.571000D+00
      3  -0.204565D+01 -0.192512D+01  0.230206D+00  0.146696D+01  0.132208D+01
                56            57            58            59            60 
      1   0.230323D+00  0.202539D+00 -0.418978D+00 -0.667209D+00 -0.162354D+01
      2  -0.196220D+00  0.646825D+00  0.107803D+01  0.416535D+00 -0.129383D+01
      3  -0.124940D+01  0.176826D+00  0.165552D+01  0.204688D+00 -0.516504D+00
                61            62            63            64            65 
      1   0.823850D+00  0.252715D+01  0.379117D+01  0.124376D+01 -0.443422D+00
      2  -0.290509D+01 -0.168669D+01  0.391403D+01  0.467838D+01 -0.965545D+00
      3  -0.163933D+01 -0.139408D+01  0.277670D+00 -0.888609D+01 -0.291427D+01
                66            67            68            69            70 
      1   0.264864D+01 -0.780996D+00  0.813055D+00 -0.869044D+00  0.146857D+01
      2   0.538418D+01 -0.127609D+01  0.506945D+00 -0.476660D+00  0.111027D+01
      3  -0.136463D+01  0.173856D+01  0.918138D+00 -0.156978D+00 -0.127925D+01
                71            72            73            74            75 
      1   0.538473D+00  0.268530D+00 -0.111102D+01  0.379964D+00  0.150137D+00
      2   0.668401D-02  0.110641D+01 -0.633681D+00 -0.163736D+00  0.132668D+00
      3  -0.134678D+01 -0.154363D+01 -0.814604D+00  0.802316D-01  0.106509D+01
                76            77            78            79            80 
      1   0.127464D+00 -0.231722D+01  0.219132D+01  0.616653D+00  0.448405D+01
      2   0.204440D+00 -0.115444D+01  0.261885D+01 -0.251087D+01  0.841005D+00
      3   0.580104D+00 -0.767878D-02  0.147819D+01  0.136254D+01  0.210616D+01
                81            82            83            84            85 
      1  -0.116346D+02  0.157140D+01  0.952964D+00 -0.201557D+01  0.922059D+00
      2  -0.108304D+02 -0.619298D+00 -0.109345D+01  0.370427D-01 -0.114654D+01
      3  -0.164140D+01  0.542584D+01  0.517612D+01 -0.304255D+00  0.760458D+01
                86            87            88            89            90 
      1   0.350493D+01 -0.331808D+01 -0.696504D+00  0.152913D+00 -0.319397D+00
      2  -0.191802D+01 -0.585964D+00 -0.105999D+01 -0.658543D+00 -0.816004D+00
      3   0.123086D+02  0.563096D+00 -0.916016D+00  0.293087D+00  0.161056D+01
                91            92            93            94            95 
      1   0.358495D+01  0.343859D+00 -0.205785D+01 -0.415462D+00  0.763706D+00
      2  -0.200889D+01 -0.461076D+00  0.462613D+01  0.302394D+00 -0.693223D+00
      3   0.123659D+02 -0.297173D+01 -0.173991D+01 -0.204551D+00  0.102709D+01
                96            97            98            99           100 
      1  -0.141486D+00 -0.107882D+01 -0.187289D+00  0.741063D+00 -0.326160D-01
      2  -0.269034D+00  0.507961D+00  0.473424D+00 -0.157427D+01  0.234400D+00
      3   0.120335D+01 -0.542107D+01  0.187601D+01  0.261565D+00  0.154481D+00
               101           102           103           104           105 
      1  -0.451203D-01  0.398226D+00 -0.172783D+01 -0.246290D+01 -0.573891D+01
      2   0.301514D+00 -0.200415D+00  0.594489D+00  0.302295D+01  0.468639D+01
      3  -0.361464D-02 -0.303683D+00  0.196651D+01 -0.374203D+01 -0.136727D+01
               106           107           108           109           110 
      1  -0.165314D+01 -0.312860D+01 -0.717510D+01 -0.396469D+01 -0.228052D+01
      2  -0.944152D+00  0.479193D+01  0.573004D+01  0.752768D+01  0.299291D+01
      3   0.157242D+01 -0.408648D+01 -0.376583D+01  0.155320D+02  0.839616D+01
               111           112           113           114           115 
      1  -0.145129D+01 -0.284207D+01 -0.298350D+00 -0.217764D+01 -0.206793D+00
      2  -0.191110D+01  0.277704D+01  0.175160D+01 -0.226208D+00 -0.295961D+01
      3   0.127468D+01  0.103926D+02  0.441685D+01  0.436488D+00  0.200269D+00
               116           117 
      1   0.431650D+00  0.121985D+01
      2  -0.118512D+01 -0.894163D+00
      3   0.560929D-01  0.233288D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.283835D+02  0.174273D+02 -0.358259D+01  0.158820D+02  0.110474D+02
      2   0.589613D+01 -0.160375D+02  0.421006D+00 -0.142121D+02 -0.158286D+02
      3   0.224874D+02 -0.138981D+01  0.316159D+01 -0.166995D+01  0.478123D+01
      4   0.225199D+02 -0.138746D+01  0.650086D+01  0.411634D+01 -0.444042D+01
      5  -0.302146D+01  0.152713D+01  0.264394D+01  0.224153D+01 -0.556006D+01
      6   0.442042D+01 -0.409589D+01 -0.942557D+00 -0.503989D+01  0.330858D+01
                 6             7             8             9            10 
      1  -0.236381D+01 -0.742368D+01 -0.107037D+01  0.338983D+01  0.112170D+02
      2  -0.180543D+01  0.962998D-01  0.666130D+00  0.144948D+02 -0.536875D+01
      3   0.416924D+01  0.732738D+01  0.404244D+00 -0.178846D+02 -0.584826D+01
      4  -0.460587D+01  0.106777D+02 -0.718536D+01 -0.874598D+01 -0.810552D+00
      5  -0.689194D+01  0.265732D+01 -0.697715D+01  0.131206D+02 -0.756177D+00
      6   0.808500D+01 -0.325338D+01  0.622184D+01 -0.550144D+01 -0.690831D+00
                11            12            13            14            15 
      1   0.383532D+01 -0.476617D+01 -0.654765D+01  0.443477D+01 -0.670945D+01
      2  -0.561674D+01  0.299584D+01  0.353890D+01 -0.410562D+01 -0.667086D+00
      3   0.178142D+01  0.177033D+01  0.300875D+01 -0.329149D+00  0.737653D+01
      4  -0.269499D+01 -0.294496D+01 -0.138621D+02 -0.188975D+01  0.572293D+00
      5  -0.120966D+01 -0.493549D+00 -0.669919D+01  0.631666D+00  0.178230D+01
      6   0.463661D+01 -0.345672D+01 -0.372318D+00  0.255752D+00 -0.135046D+02
                16            17            18            19            20 
      1   0.487267D+01 -0.255525D+01  0.839155D+01 -0.186275D+02 -0.388377D+01
      2   0.800024D+00 -0.799901D+01  0.548766D+01  0.889430D+01 -0.722659D+00
      3  -0.567269D+01  0.105543D+02 -0.138792D+02  0.973324D+01  0.460643D+01
      4  -0.467839D+01  0.600449D+01  0.953914D+01 -0.171870D+02 -0.189749D+02
      5  -0.234074D+00  0.686851D+01 -0.846169D+01  0.682891D+01  0.499206D+01
      6   0.392699D+01 -0.282686D+01  0.850400D+01 -0.931188D+00 -0.147099D+00
                21            22            23            24            25 
      1   0.366970D+01 -0.165715D+02 -0.244560D+01 -0.127967D+01  0.395812D+01
      2  -0.213651D+01  0.114261D+02 -0.605247D+01 -0.617713D+01 -0.279611D+01
      3  -0.153319D+01  0.514538D+01  0.849806D+01  0.745680D+01 -0.116201D+01
      4   0.470269D+01 -0.157368D+02 -0.526252D+01 -0.189620D+01  0.852660D+01
      5  -0.121999D+02  0.920186D+01 -0.794882D+00 -0.563244D+01 -0.194230D+01
      6  -0.233730D+01 -0.698223D+00  0.481658D+01 -0.592186D+01  0.970406D+00
                26            27            28            29            30 
      1  -0.144140D+01 -0.581450D+01  0.412398D+02  0.102290D+02 -0.406619D+01
      2   0.638210D+01 -0.746718D+00 -0.211832D+02  0.208272D-01  0.531627D+01
      3  -0.494069D+01  0.656122D+01 -0.200566D+02 -0.102498D+02 -0.125008D+01
      4  -0.533922D+01 -0.202177D+01  0.274335D+02  0.249845D+02 -0.436813D+01
      5   0.274794D-01 -0.715011D+00 -0.117646D+02 -0.471241D+01  0.174192D+02
      6   0.484920D+01  0.604644D+01 -0.754827D+00 -0.125091D+01  0.581461D+01
                31            32            33            34            35 
      1   0.153021D+02  0.289312D+01  0.584833D+00 -0.492923D+01  0.843079D+00
      2  -0.430086D+01  0.105286D+02  0.158192D+01  0.438440D+01 -0.155891D+00
      3  -0.110013D+02 -0.134217D+02 -0.216675D+01  0.544830D+00 -0.687187D+00
      4   0.281271D+02  0.273679D+02 -0.393880D+01 -0.418844D+01 -0.280734D+01
      5  -0.462641D+01 -0.467405D+01  0.988406D+01  0.167101D+02  0.803092D+01
      6  -0.239433D+01 -0.220840D+01  0.891553D+01  0.456645D+01  0.673787D+01
                36            37            38            39            40 
      1   0.352156D+01 -0.205058D+02 -0.619138D+01  0.911478D+01 -0.332221D+00
      2  -0.679438D+01  0.118424D+02  0.728366D+01 -0.737040D+01  0.314635D+01
      3   0.327282D+01  0.866342D+01 -0.109228D+01 -0.174438D+01 -0.281413D+01
      4   0.872829D+01 -0.105389D+02  0.670254D+01 -0.915094D+00  0.111814D+02
      5  -0.947602D+01  0.557073D+01 -0.303034D+01  0.607290D+01 -0.234599D+01
      6  -0.377349D+01  0.192410D+01 -0.402649D+01  0.192908D+01 -0.149199D+01
                41            42            43            44            45 
      1  -0.490951D+01  0.364473D+01  0.921977D+01  0.279117D+01  0.451371D+01
      2   0.149971D+02 -0.252306D+01 -0.859766D+01 -0.723814D+00 -0.713561D+01
      3  -0.100876D+02 -0.112167D+01 -0.622109D+00 -0.206736D+01  0.262189D+01
      4   0.919319D+01 -0.369671D+01 -0.827624D+00 -0.925114D+01 -0.611969D+01
      5  -0.439466D+01 -0.568126D+01  0.437744D+01 -0.765060D+01 -0.517168D+01
      6  -0.101691D+02  0.173588D+00 -0.142893D+01 -0.690838D+01 -0.122792D+02
                46            47            48            49            50 
      1   0.140940D+02  0.416363D+00 -0.593712D+00  0.390906D+01 -0.559087D+01
      2  -0.770909D+01 -0.485646D+01 -0.250729D+01 -0.722482D+01  0.135196D+02
      3  -0.638495D+01  0.444010D+01  0.310100D+01  0.331577D+01 -0.792877D+01
      4  -0.180984D+02  0.166027D+02 -0.600944D+01  0.106147D+02 -0.162705D+02
      5   0.493775D+01 -0.447053D+01  0.114463D+02 -0.274760D+01  0.442352D+01
      6  -0.356056D+01  0.284085D+01 -0.546523D+01  0.132964D+01 -0.473214D+01
                51            52            53            54            55 
      1   0.318626D+01 -0.184979D+01  0.358340D+01 -0.437777D+01 -0.275870D+00
      2   0.475029D+00  0.153478D+00 -0.249865D+01 -0.474796D+01 -0.233744D+01
      3  -0.366129D+01  0.169631D+01 -0.108475D+01  0.912573D+01  0.261331D+01
      4   0.312748D+01 -0.313668D+01  0.504084D+01 -0.712055D+01 -0.876992D+00
      5  -0.286620D+01  0.974211D+01 -0.603716D+01  0.984830D+01  0.138141D+01
      6   0.103448D+02 -0.363817D+01  0.851974D+01 -0.739074D+01 -0.216290D+01
                56            57            58            59            60 
      1  -0.782739D+00  0.212809D+01  0.128967D+01 -0.643794D+01  0.552029D+01
      2   0.737367D+00 -0.906530D+00 -0.480159D+00  0.175909D+01  0.832315D-01
      3   0.453715D-01 -0.122156D+01 -0.809513D+00  0.467885D+01 -0.560352D+01
      4   0.329013D+01 -0.141498D+01  0.356022D+01 -0.360958D+01  0.241667D+01
      5  -0.164423D+01  0.670912D+01 -0.516557D+00  0.218830D+01 -0.335515D+01
      6  -0.640388D+00  0.293353D+00  0.558258D+00 -0.664164D+01  0.108271D+02
                61            62            63            64            65 
      1  -0.529392D+00  0.573897D+01 -0.185425D+02  0.449114D+02 -0.915282D+01
      2  -0.433266D+00  0.291308D+01 -0.140884D+02 -0.165956D+02 -0.512327D+00
      3   0.962657D+00 -0.865205D+01  0.326308D+02 -0.283158D+02  0.966514D+01
      4  -0.795077D+00  0.384211D+01 -0.433013D+01 -0.323539D+02  0.170579D+02
      5   0.462949D+01 -0.320261D+01  0.112162D+02 -0.133953D+01  0.763212D+00
      6  -0.163692D+01  0.849302D+01 -0.143156D+02 -0.178144D+01 -0.403427D+00
                66            67            68            69            70 
      1   0.421861D+01 -0.372410D+01  0.277548D+01 -0.273307D+00  0.840710D+01
      2  -0.801650D+00 -0.189788D+01  0.380075D+01 -0.188933D+00 -0.281687D+01
      3  -0.341696D+01  0.562197D+01 -0.657624D+01  0.462240D+00 -0.559023D+01
      4  -0.224750D+01  0.124489D+02 -0.832955D+01  0.172645D+01 -0.629570D+01
      5   0.730337D+01  0.102909D+00  0.823080D+00 -0.438480D+00  0.715637D+01
      6  -0.448319D+01  0.616848D+00 -0.704849D-01  0.151802D+01 -0.373235D+01
                71            72            73            74            75 
      1  -0.438016D+00  0.378667D+01  0.316234D+01 -0.187199D+01 -0.247051D+01
      2  -0.140962D+01 -0.380981D+01 -0.331961D+01  0.150096D+01  0.166241D+01
      3   0.184764D+01  0.231427D-01  0.157277D+00  0.371028D+00  0.808096D+00
      4   0.473660D+01 -0.312623D+01 -0.245680D+01  0.962655D+00  0.587905D+00
      5  -0.131216D+01  0.207501D+01 -0.197488D+01 -0.579418D+00  0.515034D+01
      6   0.176188D+01 -0.117270D+01  0.530421D+00  0.847113D+00  0.123262D+00
                76            77            78            79            80 
      1  -0.255339D+00 -0.247928D+01  0.633217D+00 -0.246825D+01 -0.139379D+01
      2   0.949715D-01  0.995615D-01  0.518505D+01  0.307085D+01  0.462834D+01
      3   0.160368D+00  0.237972D+01 -0.581827D+01 -0.602603D+00 -0.323454D+01
      4   0.206919D+00  0.228971D+01 -0.215431D+01  0.220306D+01 -0.417997D+01
      5  -0.242105D+01 -0.171142D+01  0.502232D+01  0.700896D+01  0.915659D+00
      6   0.152540D+00 -0.997469D+00  0.209461D+01 -0.103229D+01  0.419177D+01
                81            82            83            84            85 
      1  -0.125213D+02 -0.211606D+01 -0.103228D+02 -0.770010D+00 -0.890197D+01
      2  -0.185185D+02  0.588937D+01  0.147045D+02  0.272980D+00  0.101682D+02
      3   0.310398D+02 -0.377330D+01 -0.438167D+01  0.497030D+00 -0.126620D+01
      4   0.158649D+01  0.224905D+01  0.234654D+01 -0.815145D+00  0.493454D+01
      5  -0.204974D+02  0.179708D+01  0.116247D+01 -0.361916D+00  0.206770D+01
      6   0.133609D+02  0.338880D+00  0.275860D+01  0.315317D+01  0.171420D+01
                86            87            88            89            90 
      1  -0.243360D+02 -0.135444D+01  0.422313D+00  0.927003D-01 -0.389838D+01
      2   0.395849D+02  0.689888D+00  0.145344D-01 -0.123269D+01  0.220414D+01
      3  -0.152489D+02  0.664555D+00 -0.436847D+00  0.113999D+01  0.169424D+01
      4  -0.626176D+01 -0.463116D-01 -0.149683D+01  0.101227D+01  0.590786D+00
      5   0.197375D+01 -0.124946D+01  0.947087D+00 -0.249927D+00 -0.123003D+01
      6   0.564182D+01  0.603701D+01  0.213567D+01  0.611224D+01  0.673562D+00
                91            92            93            94            95 
      1   0.434349D+02  0.488562D+01 -0.620563D+01 -0.638164D+00  0.173483D+01
      2  -0.221291D+02 -0.561736D+00  0.289913D+01  0.152615D+01  0.418601D+00
      3  -0.213058D+02 -0.432388D+01  0.330649D+01 -0.887986D+00 -0.215343D+01
      4   0.202169D+02  0.967645D+01 -0.149676D+01  0.565896D+01  0.126019D+01
      5  -0.246805D+01  0.668203D+00  0.646686D+01  0.189284D+01 -0.687333D+00
      6  -0.192437D+01  0.106786D+01  0.335461D+01  0.683006D+00 -0.155584D+00
                96            97            98            99           100 
      1   0.168995D+01 -0.121166D+02 -0.173970D+00  0.294801D+01  0.164899D+01
      2  -0.119247D+01  0.762715D+01 -0.611588D+00 -0.239351D+01 -0.743839D+00
      3  -0.497485D+00  0.448945D+01  0.785558D+00 -0.554509D+00 -0.905155D+00
      4  -0.212061D+00 -0.539815D+01 -0.125255D+01  0.148089D+01  0.344245D+01
      5  -0.193133D+00  0.483734D+01  0.109949D+01 -0.249640D+01  0.204824D+01
      6   0.129299D+01  0.101736D+01  0.206755D+01 -0.106260D+01  0.227587D+01
               101           102           103           104           105 
      1   0.166171D+01  0.152122D+01  0.195307D+01 -0.733286D+01 -0.462772D+01
      2  -0.243768D+00 -0.593065D-01 -0.569781D+00  0.865268D+01  0.420625D+01
      3  -0.141794D+01 -0.146191D+01 -0.138329D+01 -0.131982D+01  0.421466D+00
      4   0.458239D+01  0.329051D+01  0.645985D+01  0.109399D+02  0.727599D+01
      5   0.290977D+01  0.286461D+01  0.419111D+01  0.776845D+01  0.101121D+02
      6   0.723709D+00  0.119787D+00  0.441608D+01  0.134518D+02  0.145232D+02
               106           107           108           109           110 
      1   0.233875D+01 -0.738538D+01 -0.998224D+01 -0.682072D+01 -0.325040D+01
      2  -0.124389D+01  0.409708D+01  0.188674D+01  0.537500D+01  0.280417D+01
      3  -0.109486D+01  0.328830D+01  0.809550D+01  0.144572D+01  0.446233D+00
      4   0.527214D+01  0.106464D+02  0.935565D+01  0.871020D+01 -0.331235D+01
      5   0.568753D+01  0.110382D+02  0.131557D+02 -0.133411D+01  0.108447D+01
      6   0.389764D+01  0.163688D+02  0.184025D+02  0.231642D+01 -0.231054D+01
               111           112           113           114           115 
      1   0.167619D+01 -0.286474D+01 -0.924424D+01  0.304196D+01  0.161348D+00
      2   0.277155D+00  0.178435D+01  0.124073D+02 -0.305298D+01 -0.195842D+00
      3  -0.195335D+01  0.108039D+01 -0.316304D+01  0.110123D-01  0.344942D-01
      4   0.259078D+01  0.452412D+01 -0.273725D+01  0.133672D+01  0.137438D+00
      5  -0.429919D+01 -0.341164D+00  0.136270D-01 -0.492676D+00  0.656797D+00
      6   0.189712D+01  0.431504D+00 -0.503897D+01  0.433654D+01  0.457050D+00
               116           117 
      1   0.310171D+01 -0.389597D+01
      2  -0.236261D+01  0.168014D+01
      3  -0.739107D+00  0.221583D+01
      4  -0.126716D+01  0.183100D+00
      5  -0.301079D+00 -0.146221D+01
      6   0.424750D+01 -0.403096D+01
 Leave Link  716 at Wed Aug 11 18:33:09 2021, MaxMem=  6442450944 cpu:               2.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.622342D+02  0.224954D+01 -0.946712D-01
      2   0.224954D+01  0.598362D+02 -0.253928D+01
      3  -0.946712D-01 -0.253928D+01  0.487220D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.335012D+01 -0.219809D+01 -0.682921D+01
      2   0.169536D+00 -0.648944D+01 -0.177596D+02
      3  -0.157126D+01  0.119860D+02  0.285570D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.404972D+02  0.309639D+01 -0.375653D+01
      2   0.203559D+02  0.772386D+01  0.391677D+01
      3   0.201412D+02 -0.108202D+02 -0.160237D+00
      4   0.206847D+02 -0.284973D+02 -0.190566D+02
      5  -0.204918D+01 -0.188445D+02 -0.350805D+02
      6  -0.122133D+02  0.417561D+01  0.746833D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.697093D+01 -0.245876D+01  0.152546D+01 -0.750130D+00 -0.341221D+01
      2  -0.245876D+01 -0.366267D+01 -0.101336D+01 -0.341221D+01 -0.283397D+01
      3   0.152546D+01 -0.101336D+01 -0.538541D+00 -0.119650D+01  0.100702D+01
                 6             7             8             9            10 
      1  -0.119650D+01  0.366834D+01 -0.149252D+01 -0.329305D+00 -0.428298D+01
      2   0.100702D+01 -0.149252D+01  0.181201D+01  0.219844D+01  0.681365D+00
      3   0.285642D+01 -0.329305D+00  0.219844D+01 -0.575292D+01 -0.926837D+00
                11            12            13            14            15 
      1   0.681365D+00 -0.926837D+00 -0.144541D+00  0.289927D+01  0.168501D+01
      2   0.291851D+01  0.757409D+00  0.289927D+01  0.113596D+01  0.130820D+00
      3   0.757409D+00  0.526846D+00  0.168501D+01  0.130820D+00 -0.303959D+01
                16            17            18            19            20 
      1  -0.301849D+01  0.893559D+00  0.220893D+00  0.122911D+01 -0.213182D+01
      2   0.893559D+00 -0.352726D+00 -0.391506D+01 -0.213182D+01 -0.249923D+01
      3   0.220893D+00 -0.391506D+01  0.592285D+01  0.186350D+01  0.107613D+01
                21            22            23            24            25 
      1   0.186350D+01 -0.491789D+01 -0.367697D+01  0.113741D+01  0.331830D+01
      2   0.107613D+01 -0.367697D+01 -0.151007D+01 -0.290392D+00  0.156744D+01
      3  -0.147521D+00  0.113741D+01 -0.290392D+00 -0.745112D-01 -0.325657D+00
                26            27            28            29            30 
      1   0.156744D+01 -0.325657D+00  0.876612D+01  0.405370D+01 -0.216020D+01
      2  -0.358227D+00  0.751729D+00  0.405370D+01  0.359675D+01 -0.964186D+00
      3   0.751729D+00 -0.762316D+00 -0.216020D+01 -0.964186D+00  0.181069D+01
                31            32            33            34            35 
      1   0.494823D+01  0.378912D+01 -0.699511D+00 -0.210725D+01 -0.542776D+00
      2   0.378912D+01  0.694529D+01 -0.107928D+01 -0.542776D+00 -0.795040D+00
      3  -0.699511D+00 -0.107928D+01  0.189803D+01  0.291926D+01  0.208487D+01
                36            37            38            39            40 
      1   0.291926D+01  0.634238D+01 -0.804222D-01 -0.780580D+00 -0.599890D+00
      2   0.208487D+01 -0.804222D-01 -0.985310D+00  0.586596D+00 -0.112739D+01
      3  -0.227659D+01 -0.780580D+00  0.586596D+00 -0.228168D+00  0.244508D+00
                41            42            43            44            45 
      1  -0.112739D+01  0.244508D+00 -0.115071D+01  0.844027D+00 -0.127602D+00
      2  -0.268280D+01  0.127002D+01  0.844027D+00  0.328313D+01  0.267831D+01
      3   0.127002D+01  0.245278D+01 -0.127602D+00  0.267831D+01  0.235567D+01
                46            47            48            49            50 
      1   0.661872D+01 -0.747482D+00  0.188157D+01  0.276965D+01  0.324324D+01
      2  -0.747482D+00  0.333111D+01 -0.107100D+01  0.324324D+01 -0.342798D+01
      3   0.188157D+01 -0.107100D+01  0.121546D+01 -0.170589D+00  0.794402D+00
                51            52            53            54            55 
      1  -0.170589D+00 -0.187164D-01 -0.121991D+01  0.107782D+01  0.536090D-01
      2   0.794402D+00 -0.121991D+01  0.908754D+00 -0.184100D+01  0.342333D+00
      3  -0.607445D+00  0.107782D+01 -0.184100D+01  0.262764D+01 -0.982343D+00
                56            57            58            59            60 
      1   0.342333D+00 -0.982343D+00  0.632899D+00 -0.510617D+00 -0.163903D+00
      2  -0.561144D+00 -0.136779D+00 -0.510617D+00  0.187962D+01 -0.164227D+01
      3  -0.136779D+00 -0.437913D+00 -0.163903D+00 -0.164227D+01  0.234771D+01
                61            62            63            64            65 
      1  -0.114961D+01 -0.200408D+00 -0.230054D+00 -0.969226D+01  0.278982D+01
      2  -0.200408D+00 -0.239434D+01  0.241770D+01  0.278982D+01 -0.200080D+01
      3  -0.230054D+00  0.241770D+01 -0.843271D+01 -0.621233D+00  0.178738D-01
                66            67            68            69            70 
      1  -0.621233D+00  0.120472D+01 -0.128943D+01  0.264762D+00 -0.228894D+01
      2   0.178738D-01 -0.128943D+01  0.155793D+01 -0.289551D+00  0.619948D+00
      3  -0.134246D+01  0.264762D+00 -0.289551D+00  0.683987D-02 -0.112968D+01
                71            72            73            74            75 
      1   0.619948D+00 -0.112968D+01 -0.751714D+00  0.147551D+00  0.786284D+00
      2  -0.984657D+00  0.109882D+00  0.147551D+00  0.456012D+00  0.190389D+00
      3   0.109882D+00 -0.127667D+00  0.786284D+00  0.190389D+00  0.165550D+00
                76            77            78            79            80 
      1  -0.442596D+00  0.323746D+00  0.423004D+00  0.112735D+01 -0.912744D-01
      2   0.323746D+00 -0.509138D+00  0.772698D+00 -0.912744D-01  0.155233D+01
      3   0.423004D+00  0.772698D+00 -0.208924D+01 -0.772245D+00 -0.183210D+00
                81            82            83            84            85 
      1  -0.772245D+00  0.925314D+00  0.138747D+01 -0.111783D+00  0.178944D+01
      2  -0.183210D+00  0.138747D+01  0.313373D+01  0.495189D+00  0.168699D+01
      3   0.833385D+01 -0.111783D+00  0.495189D+00  0.808584D+00  0.654795D-01
                86            87            88            89            90 
      1   0.168699D+01  0.654795D-01 -0.354544D+00  0.278723D+00  0.298388D+00
      2   0.755689D+01  0.390542D+00  0.278723D+00 -0.409651D+00  0.771866D+00
      3   0.390542D+00  0.906502D+00  0.298388D+00  0.771866D+00  0.521278D+00
                91            92            93            94            95 
      1  -0.102076D+02 -0.192804D+01  0.105802D+01 -0.240552D+00 -0.642735D+00
      2  -0.192804D+01 -0.188746D+01 -0.224992D+00 -0.642735D+00 -0.285493D+00
      3   0.105802D+01 -0.224992D+00 -0.136403D+01 -0.377278D+00  0.162150D+00
                96            97            98            99           100 
      1  -0.377278D+00  0.325119D+01  0.125522D+00 -0.796010D+00 -0.522105D+00
      2   0.162150D+00  0.125522D+00  0.680609D+00 -0.342901D+00 -0.785271D+00
      3  -0.335572D-01 -0.796010D+00 -0.342901D+00  0.601330D+00 -0.531828D+00
               101           102           103           104           105 
      1  -0.785271D+00 -0.531828D+00 -0.120607D+01 -0.100265D+01 -0.853813D+00
      2  -0.188128D+00 -0.381112D+00 -0.100265D+01 -0.399151D+01 -0.233830D+01
      3  -0.381112D+00  0.263194D+00 -0.853813D+00 -0.233830D+01 -0.327024D+01
               106           107           108           109           110 
      1  -0.140615D+01 -0.961320D+00 -0.866049D+00 -0.544953D+01 -0.127043D+01
      2  -0.961320D+00 -0.396424D+01 -0.374767D+01 -0.127043D+01 -0.165137D+01
      3  -0.866049D+00 -0.374767D+01 -0.452841D+01 -0.100002D+01  0.667844D+00
               111           112           113           114           115 
      1  -0.100002D+01 -0.304326D+01 -0.280372D+00 -0.358575D+00  0.129230D+00
      2   0.667844D+00 -0.280372D+00 -0.383472D+01  0.111215D+01  0.178994D+00
      3  -0.731688D+00 -0.358575D+00  0.111215D+01 -0.135370D+01  0.602466D-01
               116           117 
      1   0.178994D+00  0.602466D-01
      2   0.102205D+01 -0.982953D+00
      3  -0.982953D+00  0.151800D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.407241D+01 -0.112859D+01 -0.441418D-02  0.711874D+00 -0.511200D+01
      2  -0.561390D+01  0.375277D+01  0.229375D+01  0.372894D+01  0.429483D+00
      3   0.434303D+01 -0.105991D+02  0.969966D+00 -0.451300D+01 -0.115918D+02
                 6             7             8             9            10 
      1  -0.679945D+01 -0.155301D+00 -0.503586D+00  0.957699D+01  0.497552D+00
      2  -0.339067D+01 -0.231326D+01 -0.254856D+01  0.779280D+01 -0.412062D+01
      3  -0.793633D+00  0.160025D+01 -0.247852D-01  0.355152D+01 -0.236295D+01
                11            12            13            14            15 
      1  -0.116990D+01  0.191412D+01  0.995522D+00 -0.263144D+01  0.284255D+01
      2   0.230232D+01  0.228850D+01 -0.149997D+01  0.172362D+01  0.100145D+01
      3  -0.145406D+01 -0.261481D+01  0.261640D+01  0.529751D+01 -0.250452D+01
                16            17            18            19            20 
      1  -0.101385D+00  0.502657D+01 -0.102802D+01  0.227944D+01  0.562668D-01
      2  -0.581307D+01  0.260950D+01 -0.206132D+01  0.435558D+01 -0.310918D+01
      3  -0.933629D+00 -0.209362D+00 -0.186216D+01 -0.280656D+01  0.600948D+01
                21            22            23            24            25 
      1   0.264314D+01 -0.258013D+01  0.831217D+01  0.344846D+01 -0.349618D+01
      2  -0.649509D+01 -0.680659D+01  0.721831D+00 -0.283270D+01 -0.141054D+02
      3   0.930244D+00  0.860589D+01  0.495801D+01  0.170624D+01  0.508222D+01
                26            27            28            29            30 
      1   0.760729D+01 -0.805943D+01 -0.806356D+00 -0.209972D+01 -0.490525D+01
      2   0.184437D+01 -0.167517D+01  0.125869D+01 -0.104809D+00  0.918140D+01
      3   0.102855D+00  0.110181D+01  0.208899D+01 -0.115046D+02  0.129618D+01
                31            32            33            34            35 
      1   0.526274D+00 -0.338363D+01 -0.633680D+01  0.165364D+01  0.255370D+01
      2   0.428289D+01 -0.137082D+01  0.453116D+01  0.202055D+01  0.142117D+01
      3   0.218688D+01 -0.107284D+02  0.545776D+00 -0.185840D+01  0.790304D+00
                36            37            38            39            40 
      1   0.212872D+01 -0.257771D+01  0.226180D+01 -0.920889D+00  0.208756D+01
      2  -0.197592D+01  0.140360D+01 -0.156476D+01  0.324055D+01 -0.105130D+01
      3  -0.346945D+01 -0.127325D+02 -0.758105D+01  0.269043D+01  0.469884D+01
                41            42            43            44            45 
      1   0.576111D+01 -0.180370D+01  0.145632D+01  0.904740D+01  0.568917D+01
      2  -0.315620D+01 -0.292732D+01 -0.372224D+01 -0.435943D+01 -0.264248D+01
      3  -0.177010D+01  0.140421D+01  0.415510D+01  0.160677D+01  0.377910D+01
                46            47            48            49            50 
      1   0.314248D+01  0.294210D+01  0.339846D+01  0.344209D+01 -0.101302D+01
      2  -0.708031D+01 -0.295994D+01  0.513647D+01 -0.118773D+01 -0.280258D+00
      3  -0.147537D+02 -0.113024D+02 -0.806268D+00 -0.621164D+01 -0.166015D+00
                51            52            53            54            55 
      1  -0.403457D+01  0.249327D+01  0.136851D+01  0.353118D+01  0.245208D+00
      2  -0.835479D+00  0.157817D+01 -0.267456D+01  0.397369D+01  0.571000D+00
      3  -0.204565D+01 -0.192512D+01  0.230206D+00  0.146696D+01  0.132208D+01
                56            57            58            59            60 
      1   0.230323D+00  0.202539D+00 -0.418978D+00 -0.667209D+00 -0.162354D+01
      2  -0.196220D+00  0.646825D+00  0.107803D+01  0.416535D+00 -0.129383D+01
      3  -0.124940D+01  0.176826D+00  0.165552D+01  0.204688D+00 -0.516504D+00
                61            62            63            64            65 
      1   0.823850D+00  0.252715D+01  0.379117D+01  0.124376D+01 -0.443422D+00
      2  -0.290509D+01 -0.168669D+01  0.391403D+01  0.467838D+01 -0.965545D+00
      3  -0.163933D+01 -0.139408D+01  0.277670D+00 -0.888609D+01 -0.291427D+01
                66            67            68            69            70 
      1   0.264864D+01 -0.780996D+00  0.813055D+00 -0.869044D+00  0.146857D+01
      2   0.538418D+01 -0.127609D+01  0.506945D+00 -0.476660D+00  0.111027D+01
      3  -0.136463D+01  0.173856D+01  0.918138D+00 -0.156978D+00 -0.127925D+01
                71            72            73            74            75 
      1   0.538473D+00  0.268530D+00 -0.111102D+01  0.379964D+00  0.150137D+00
      2   0.668401D-02  0.110641D+01 -0.633681D+00 -0.163736D+00  0.132668D+00
      3  -0.134678D+01 -0.154363D+01 -0.814604D+00  0.802316D-01  0.106509D+01
                76            77            78            79            80 
      1   0.127464D+00 -0.231722D+01  0.219132D+01  0.616653D+00  0.448405D+01
      2   0.204440D+00 -0.115444D+01  0.261885D+01 -0.251087D+01  0.841005D+00
      3   0.580104D+00 -0.767878D-02  0.147819D+01  0.136254D+01  0.210616D+01
                81            82            83            84            85 
      1  -0.116346D+02  0.157140D+01  0.952964D+00 -0.201557D+01  0.922059D+00
      2  -0.108304D+02 -0.619298D+00 -0.109345D+01  0.370427D-01 -0.114654D+01
      3  -0.164140D+01  0.542584D+01  0.517612D+01 -0.304255D+00  0.760458D+01
                86            87            88            89            90 
      1   0.350493D+01 -0.331808D+01 -0.696504D+00  0.152913D+00 -0.319397D+00
      2  -0.191802D+01 -0.585964D+00 -0.105999D+01 -0.658543D+00 -0.816004D+00
      3   0.123086D+02  0.563096D+00 -0.916016D+00  0.293087D+00  0.161056D+01
                91            92            93            94            95 
      1   0.358495D+01  0.343859D+00 -0.205785D+01 -0.415462D+00  0.763706D+00
      2  -0.200889D+01 -0.461076D+00  0.462613D+01  0.302394D+00 -0.693223D+00
      3   0.123659D+02 -0.297173D+01 -0.173991D+01 -0.204551D+00  0.102709D+01
                96            97            98            99           100 
      1  -0.141486D+00 -0.107882D+01 -0.187289D+00  0.741063D+00 -0.326160D-01
      2  -0.269034D+00  0.507961D+00  0.473424D+00 -0.157427D+01  0.234400D+00
      3   0.120335D+01 -0.542107D+01  0.187601D+01  0.261565D+00  0.154481D+00
               101           102           103           104           105 
      1  -0.451203D-01  0.398226D+00 -0.172783D+01 -0.246290D+01 -0.573891D+01
      2   0.301514D+00 -0.200415D+00  0.594489D+00  0.302295D+01  0.468639D+01
      3  -0.361464D-02 -0.303683D+00  0.196651D+01 -0.374203D+01 -0.136727D+01
               106           107           108           109           110 
      1  -0.165314D+01 -0.312860D+01 -0.717510D+01 -0.396469D+01 -0.228052D+01
      2  -0.944152D+00  0.479193D+01  0.573004D+01  0.752768D+01  0.299291D+01
      3   0.157242D+01 -0.408648D+01 -0.376583D+01  0.155320D+02  0.839616D+01
               111           112           113           114           115 
      1  -0.145129D+01 -0.284207D+01 -0.298350D+00 -0.217764D+01 -0.206793D+00
      2  -0.191110D+01  0.277704D+01  0.175160D+01 -0.226208D+00 -0.295961D+01
      3   0.127468D+01  0.103926D+02  0.441685D+01  0.436488D+00  0.200269D+00
               116           117 
      1   0.431650D+00  0.121985D+01
      2  -0.118512D+01 -0.894163D+00
      3   0.560929D-01  0.233288D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.283835D+02  0.174273D+02 -0.358259D+01  0.158820D+02  0.110474D+02
      2   0.589613D+01 -0.160375D+02  0.421006D+00 -0.142121D+02 -0.158286D+02
      3   0.224874D+02 -0.138981D+01  0.316159D+01 -0.166995D+01  0.478123D+01
      4   0.225199D+02 -0.138746D+01  0.650086D+01  0.411634D+01 -0.444042D+01
      5  -0.302146D+01  0.152713D+01  0.264394D+01  0.224153D+01 -0.556006D+01
      6   0.442042D+01 -0.409589D+01 -0.942557D+00 -0.503989D+01  0.330858D+01
                 6             7             8             9            10 
      1  -0.236381D+01 -0.742368D+01 -0.107037D+01  0.338983D+01  0.112170D+02
      2  -0.180543D+01  0.962998D-01  0.666130D+00  0.144948D+02 -0.536875D+01
      3   0.416924D+01  0.732738D+01  0.404244D+00 -0.178846D+02 -0.584826D+01
      4  -0.460587D+01  0.106777D+02 -0.718536D+01 -0.874598D+01 -0.810552D+00
      5  -0.689194D+01  0.265732D+01 -0.697715D+01  0.131206D+02 -0.756177D+00
      6   0.808500D+01 -0.325338D+01  0.622184D+01 -0.550144D+01 -0.690831D+00
                11            12            13            14            15 
      1   0.383532D+01 -0.476617D+01 -0.654765D+01  0.443477D+01 -0.670945D+01
      2  -0.561674D+01  0.299584D+01  0.353890D+01 -0.410562D+01 -0.667086D+00
      3   0.178142D+01  0.177033D+01  0.300875D+01 -0.329149D+00  0.737653D+01
      4  -0.269499D+01 -0.294496D+01 -0.138621D+02 -0.188975D+01  0.572293D+00
      5  -0.120966D+01 -0.493549D+00 -0.669919D+01  0.631666D+00  0.178230D+01
      6   0.463661D+01 -0.345672D+01 -0.372318D+00  0.255752D+00 -0.135046D+02
                16            17            18            19            20 
      1   0.487267D+01 -0.255525D+01  0.839155D+01 -0.186275D+02 -0.388377D+01
      2   0.800024D+00 -0.799901D+01  0.548766D+01  0.889430D+01 -0.722659D+00
      3  -0.567269D+01  0.105543D+02 -0.138792D+02  0.973324D+01  0.460643D+01
      4  -0.467839D+01  0.600449D+01  0.953914D+01 -0.171870D+02 -0.189749D+02
      5  -0.234074D+00  0.686851D+01 -0.846169D+01  0.682891D+01  0.499206D+01
      6   0.392699D+01 -0.282686D+01  0.850400D+01 -0.931188D+00 -0.147099D+00
                21            22            23            24            25 
      1   0.366970D+01 -0.165715D+02 -0.244560D+01 -0.127967D+01  0.395812D+01
      2  -0.213651D+01  0.114261D+02 -0.605247D+01 -0.617713D+01 -0.279611D+01
      3  -0.153319D+01  0.514538D+01  0.849806D+01  0.745680D+01 -0.116201D+01
      4   0.470269D+01 -0.157368D+02 -0.526252D+01 -0.189620D+01  0.852660D+01
      5  -0.121999D+02  0.920186D+01 -0.794882D+00 -0.563244D+01 -0.194230D+01
      6  -0.233730D+01 -0.698223D+00  0.481658D+01 -0.592186D+01  0.970406D+00
                26            27            28            29            30 
      1  -0.144140D+01 -0.581450D+01  0.412398D+02  0.102290D+02 -0.406619D+01
      2   0.638210D+01 -0.746718D+00 -0.211832D+02  0.208272D-01  0.531627D+01
      3  -0.494069D+01  0.656122D+01 -0.200566D+02 -0.102498D+02 -0.125008D+01
      4  -0.533922D+01 -0.202177D+01  0.274335D+02  0.249845D+02 -0.436813D+01
      5   0.274794D-01 -0.715011D+00 -0.117646D+02 -0.471241D+01  0.174192D+02
      6   0.484920D+01  0.604644D+01 -0.754827D+00 -0.125091D+01  0.581461D+01
                31            32            33            34            35 
      1   0.153021D+02  0.289312D+01  0.584833D+00 -0.492923D+01  0.843079D+00
      2  -0.430086D+01  0.105286D+02  0.158192D+01  0.438440D+01 -0.155891D+00
      3  -0.110013D+02 -0.134217D+02 -0.216675D+01  0.544830D+00 -0.687187D+00
      4   0.281271D+02  0.273679D+02 -0.393880D+01 -0.418844D+01 -0.280734D+01
      5  -0.462641D+01 -0.467405D+01  0.988406D+01  0.167101D+02  0.803092D+01
      6  -0.239433D+01 -0.220840D+01  0.891553D+01  0.456645D+01  0.673787D+01
                36            37            38            39            40 
      1   0.352156D+01 -0.205058D+02 -0.619138D+01  0.911478D+01 -0.332221D+00
      2  -0.679438D+01  0.118424D+02  0.728366D+01 -0.737040D+01  0.314635D+01
      3   0.327282D+01  0.866342D+01 -0.109228D+01 -0.174438D+01 -0.281413D+01
      4   0.872829D+01 -0.105389D+02  0.670254D+01 -0.915094D+00  0.111814D+02
      5  -0.947602D+01  0.557073D+01 -0.303034D+01  0.607290D+01 -0.234599D+01
      6  -0.377349D+01  0.192410D+01 -0.402649D+01  0.192908D+01 -0.149199D+01
                41            42            43            44            45 
      1  -0.490951D+01  0.364473D+01  0.921977D+01  0.279117D+01  0.451371D+01
      2   0.149971D+02 -0.252306D+01 -0.859766D+01 -0.723814D+00 -0.713561D+01
      3  -0.100876D+02 -0.112167D+01 -0.622109D+00 -0.206736D+01  0.262189D+01
      4   0.919319D+01 -0.369671D+01 -0.827624D+00 -0.925114D+01 -0.611969D+01
      5  -0.439466D+01 -0.568126D+01  0.437744D+01 -0.765060D+01 -0.517168D+01
      6  -0.101691D+02  0.173588D+00 -0.142893D+01 -0.690838D+01 -0.122792D+02
                46            47            48            49            50 
      1   0.140940D+02  0.416363D+00 -0.593712D+00  0.390906D+01 -0.559087D+01
      2  -0.770909D+01 -0.485646D+01 -0.250729D+01 -0.722482D+01  0.135196D+02
      3  -0.638495D+01  0.444010D+01  0.310100D+01  0.331577D+01 -0.792877D+01
      4  -0.180984D+02  0.166027D+02 -0.600944D+01  0.106147D+02 -0.162705D+02
      5   0.493775D+01 -0.447053D+01  0.114463D+02 -0.274760D+01  0.442352D+01
      6  -0.356056D+01  0.284085D+01 -0.546523D+01  0.132964D+01 -0.473214D+01
                51            52            53            54            55 
      1   0.318626D+01 -0.184979D+01  0.358340D+01 -0.437777D+01 -0.275870D+00
      2   0.475029D+00  0.153478D+00 -0.249865D+01 -0.474796D+01 -0.233744D+01
      3  -0.366129D+01  0.169631D+01 -0.108475D+01  0.912573D+01  0.261331D+01
      4   0.312748D+01 -0.313668D+01  0.504084D+01 -0.712055D+01 -0.876992D+00
      5  -0.286620D+01  0.974211D+01 -0.603716D+01  0.984830D+01  0.138141D+01
      6   0.103448D+02 -0.363817D+01  0.851974D+01 -0.739074D+01 -0.216290D+01
                56            57            58            59            60 
      1  -0.782739D+00  0.212809D+01  0.128967D+01 -0.643794D+01  0.552029D+01
      2   0.737367D+00 -0.906530D+00 -0.480159D+00  0.175909D+01  0.832315D-01
      3   0.453715D-01 -0.122156D+01 -0.809513D+00  0.467885D+01 -0.560352D+01
      4   0.329013D+01 -0.141498D+01  0.356022D+01 -0.360958D+01  0.241667D+01
      5  -0.164423D+01  0.670912D+01 -0.516557D+00  0.218830D+01 -0.335515D+01
      6  -0.640388D+00  0.293353D+00  0.558258D+00 -0.664164D+01  0.108271D+02
                61            62            63            64            65 
      1  -0.529392D+00  0.573897D+01 -0.185425D+02  0.449114D+02 -0.915282D+01
      2  -0.433266D+00  0.291308D+01 -0.140884D+02 -0.165956D+02 -0.512327D+00
      3   0.962657D+00 -0.865205D+01  0.326308D+02 -0.283158D+02  0.966514D+01
      4  -0.795077D+00  0.384211D+01 -0.433013D+01 -0.323539D+02  0.170579D+02
      5   0.462949D+01 -0.320261D+01  0.112162D+02 -0.133953D+01  0.763212D+00
      6  -0.163692D+01  0.849302D+01 -0.143156D+02 -0.178144D+01 -0.403427D+00
                66            67            68            69            70 
      1   0.421861D+01 -0.372410D+01  0.277548D+01 -0.273307D+00  0.840710D+01
      2  -0.801650D+00 -0.189788D+01  0.380075D+01 -0.188933D+00 -0.281687D+01
      3  -0.341696D+01  0.562197D+01 -0.657624D+01  0.462240D+00 -0.559023D+01
      4  -0.224750D+01  0.124489D+02 -0.832955D+01  0.172645D+01 -0.629570D+01
      5   0.730337D+01  0.102909D+00  0.823080D+00 -0.438480D+00  0.715637D+01
      6  -0.448319D+01  0.616848D+00 -0.704849D-01  0.151802D+01 -0.373235D+01
                71            72            73            74            75 
      1  -0.438016D+00  0.378667D+01  0.316234D+01 -0.187199D+01 -0.247051D+01
      2  -0.140962D+01 -0.380981D+01 -0.331961D+01  0.150096D+01  0.166241D+01
      3   0.184764D+01  0.231427D-01  0.157277D+00  0.371028D+00  0.808096D+00
      4   0.473660D+01 -0.312623D+01 -0.245680D+01  0.962655D+00  0.587905D+00
      5  -0.131216D+01  0.207501D+01 -0.197488D+01 -0.579418D+00  0.515034D+01
      6   0.176188D+01 -0.117270D+01  0.530421D+00  0.847113D+00  0.123262D+00
                76            77            78            79            80 
      1  -0.255339D+00 -0.247928D+01  0.633217D+00 -0.246825D+01 -0.139379D+01
      2   0.949715D-01  0.995615D-01  0.518505D+01  0.307085D+01  0.462834D+01
      3   0.160368D+00  0.237972D+01 -0.581827D+01 -0.602603D+00 -0.323454D+01
      4   0.206919D+00  0.228971D+01 -0.215431D+01  0.220306D+01 -0.417997D+01
      5  -0.242105D+01 -0.171142D+01  0.502232D+01  0.700896D+01  0.915659D+00
      6   0.152540D+00 -0.997469D+00  0.209461D+01 -0.103229D+01  0.419177D+01
                81            82            83            84            85 
      1  -0.125213D+02 -0.211606D+01 -0.103228D+02 -0.770010D+00 -0.890197D+01
      2  -0.185185D+02  0.588937D+01  0.147045D+02  0.272980D+00  0.101682D+02
      3   0.310398D+02 -0.377330D+01 -0.438167D+01  0.497030D+00 -0.126620D+01
      4   0.158649D+01  0.224905D+01  0.234654D+01 -0.815145D+00  0.493454D+01
      5  -0.204974D+02  0.179708D+01  0.116247D+01 -0.361916D+00  0.206770D+01
      6   0.133609D+02  0.338880D+00  0.275860D+01  0.315317D+01  0.171420D+01
                86            87            88            89            90 
      1  -0.243360D+02 -0.135444D+01  0.422313D+00  0.927003D-01 -0.389838D+01
      2   0.395849D+02  0.689888D+00  0.145344D-01 -0.123269D+01  0.220414D+01
      3  -0.152489D+02  0.664555D+00 -0.436847D+00  0.113999D+01  0.169424D+01
      4  -0.626176D+01 -0.463116D-01 -0.149683D+01  0.101227D+01  0.590786D+00
      5   0.197375D+01 -0.124946D+01  0.947087D+00 -0.249927D+00 -0.123003D+01
      6   0.564182D+01  0.603701D+01  0.213567D+01  0.611224D+01  0.673562D+00
                91            92            93            94            95 
      1   0.434349D+02  0.488562D+01 -0.620563D+01 -0.638164D+00  0.173483D+01
      2  -0.221291D+02 -0.561736D+00  0.289913D+01  0.152615D+01  0.418601D+00
      3  -0.213058D+02 -0.432388D+01  0.330649D+01 -0.887986D+00 -0.215343D+01
      4   0.202169D+02  0.967645D+01 -0.149676D+01  0.565896D+01  0.126019D+01
      5  -0.246805D+01  0.668203D+00  0.646686D+01  0.189284D+01 -0.687333D+00
      6  -0.192437D+01  0.106786D+01  0.335461D+01  0.683006D+00 -0.155584D+00
                96            97            98            99           100 
      1   0.168995D+01 -0.121166D+02 -0.173970D+00  0.294801D+01  0.164899D+01
      2  -0.119247D+01  0.762715D+01 -0.611588D+00 -0.239351D+01 -0.743839D+00
      3  -0.497485D+00  0.448945D+01  0.785558D+00 -0.554509D+00 -0.905155D+00
      4  -0.212061D+00 -0.539815D+01 -0.125255D+01  0.148089D+01  0.344245D+01
      5  -0.193133D+00  0.483734D+01  0.109949D+01 -0.249640D+01  0.204824D+01
      6   0.129299D+01  0.101736D+01  0.206755D+01 -0.106260D+01  0.227587D+01
               101           102           103           104           105 
      1   0.166171D+01  0.152122D+01  0.195307D+01 -0.733286D+01 -0.462772D+01
      2  -0.243768D+00 -0.593065D-01 -0.569781D+00  0.865268D+01  0.420625D+01
      3  -0.141794D+01 -0.146191D+01 -0.138329D+01 -0.131982D+01  0.421466D+00
      4   0.458239D+01  0.329051D+01  0.645985D+01  0.109399D+02  0.727599D+01
      5   0.290977D+01  0.286461D+01  0.419111D+01  0.776845D+01  0.101121D+02
      6   0.723709D+00  0.119787D+00  0.441608D+01  0.134518D+02  0.145232D+02
               106           107           108           109           110 
      1   0.233875D+01 -0.738538D+01 -0.998224D+01 -0.682072D+01 -0.325040D+01
      2  -0.124389D+01  0.409708D+01  0.188674D+01  0.537500D+01  0.280417D+01
      3  -0.109486D+01  0.328830D+01  0.809550D+01  0.144572D+01  0.446233D+00
      4   0.527214D+01  0.106464D+02  0.935565D+01  0.871020D+01 -0.331235D+01
      5   0.568753D+01  0.110382D+02  0.131557D+02 -0.133411D+01  0.108447D+01
      6   0.389764D+01  0.163688D+02  0.184025D+02  0.231642D+01 -0.231054D+01
               111           112           113           114           115 
      1   0.167619D+01 -0.286474D+01 -0.924424D+01  0.304196D+01  0.161348D+00
      2   0.277155D+00  0.178435D+01  0.124073D+02 -0.305298D+01 -0.195842D+00
      3  -0.195335D+01  0.108039D+01 -0.316304D+01  0.110123D-01  0.344942D-01
      4   0.259078D+01  0.452412D+01 -0.273725D+01  0.133672D+01  0.137438D+00
      5  -0.429919D+01 -0.341164D+00  0.136270D-01 -0.492676D+00  0.656797D+00
      6   0.189712D+01  0.431504D+00 -0.503897D+01  0.433654D+01  0.457050D+00
               116           117 
      1   0.310171D+01 -0.389597D+01
      2  -0.236261D+01  0.168014D+01
      3  -0.739107D+00  0.221583D+01
      4  -0.126716D+01  0.183100D+00
      5  -0.301079D+00 -0.146221D+01
      6   0.424750D+01 -0.403096D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x         -0.204539D+01     -0.519886D+01     -0.173415D+02
   y         -0.532799D+00     -0.135424D+01     -0.451726D+01
   z         -0.241207D+00     -0.613088D+00     -0.204504D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.553894D+02      0.820786D+01      0.913248D+01
   yx         0.207467D+01      0.307434D+00      0.342067D+00
   yy         0.536254D+02      0.794646D+01      0.884163D+01
   zx        -0.370775D+00     -0.549432D-01     -0.611326D-01
   zy        -0.208194D+01     -0.308512D+00     -0.343266D+00
   zz         0.434537D+02      0.643917D+01      0.716455D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.569308D+02      0.843627D+01      0.938662D+01
   aniso      0.138014D+02      0.204515D+01      0.227554D+01
   xx         0.622342D+02      0.922215D+01      0.102610D+02
   yx         0.224954D+01      0.333348D+00      0.370900D+00
   yy         0.598362D+02      0.886680D+01      0.986565D+01
   zx        -0.946712D-01     -0.140288D-01     -0.156092D-01
   zy        -0.253928D+01     -0.376282D+00     -0.418670D+00
   zz         0.487220D+02      0.721986D+01      0.803318D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.79452114         -2.46004239          1.55593743
     6          0.50634895         -0.77050280          1.13414793
     6          0.42959403          0.24303526         -1.58861138
     8          0.87480461         -1.05583051         -3.39401842
     7          0.50627791          1.35027491          2.92599172
     8         -0.24153940          2.67602014         -1.76390328
     1          2.21607941         -1.92159272          1.27192067
     1         -1.69942173         -3.35526120          3.41214081
     1         -3.53367694         -1.35457945          1.44456726
     1         -1.86287010         -3.93023335          0.11966351
     1         -0.42693113          0.92198369          4.53810353
     1          2.27951136          1.89426448          3.39406366
     1         -0.43128308          3.25706455         -0.00786061

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.212736D+01      0.540721D+01      0.180365D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.433761D+02      0.642768D+01      0.715176D+01
   yx         0.369938D+00      0.548191D-01      0.609945D-01
   yy         0.531669D+02      0.787853D+01      0.876605D+01
   zx        -0.194149D+01     -0.287699D+00     -0.320109D+00
   zy         0.169820D+01      0.251647D+00      0.279995D+00
   zz         0.559254D+02      0.828729D+01      0.922085D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.569308D+02      0.843627D+01      0.938662D+01
   aniso      0.138014D+02      0.204515D+01      0.227554D+01
   xx         0.484408D+02      0.717819D+01      0.798681D+01
   yx         0.148114D+00      0.219482D-01      0.244207D-01
   yy         0.595230D+02      0.882039D+01      0.981401D+01
   zx        -0.199017D+01     -0.294913D+00     -0.328135D+00
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 ----------------------------------------------------------------------
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 THE 2ND LAW OF THERMODYNAMICS HAS THE SAME
 DEGREE OF TRUTH AS THE STATEMENT THAT IF YOU THROW
 A TUMBLERFULL OF WATER INTO THE SEA, YOU CANNOT GET
 THE SAME TUMBLERFULL OF WATER OUT AGAIN.
          - J.C. MAXWELL, LETTER TO LORD RAYLEIGH, DECEMBER 6,1870
 Job cpu time:       0 days  0 hours 38 minutes 28.3 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 52.0 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Wed Aug 11 18:33:10 2021.
